Having trouble installing DIRAC15

Dylan Hennessey

unread,

Oct 14, 2016, 7:28:43 PM10/14/16

to dirac-users

Hello all,

As the title suggests, I'm having problems installing DIRAC. The issue is with the make command. It generates the following output.

[ 0%] Built target gen_fortran_interface_h

[ 0%] Built target dirac_interfaces

[ 2%] Built target xcfun

[ 3%] Built target xcfun_fortran_bindings

[ 3%] Built target run_pamadm

[ 3%] Built target check_external_timestamp_stieltjes

[ 5%] Built target stieltjes

[ 6%] Built target git_info

[ 7%] Building Fortran object CMakeFiles/dirac.dir/src/pcm/pcm_gp.F90.o

/home/ubuntu/DIRAC/DIRAC-15.0-Source/src/pcm/pcm_gp.F90:72.26:

use interface_to_mpi

1

Fatal Error: Can't open module file 'interface_to_mpi.mod' for reading at (1): No such file or directory

make[2]: *** [CMakeFiles/dirac.dir/src/pcm/pcm_gp.F90.o] Error 1

make[1]: *** [CMakeFiles/dirac.dir/all] Error 2

make: *** [all] Error 2

Any help you can offer me would be greatly appreciated. Thanks!

Dylan

Radovan Bast

unread,

Oct 15, 2016, 10:36:21 AM10/15/16

to dirac...@googlegroups.com

dear Dylan,

please tell us which compiler versions you use and on which operating system you see this error. how have you configured the code?

radovan

Dylan Hennessey

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Oct 18, 2016, 12:52:52 PM10/18/16

to dirac-users

I'm using 4.6.4 of gfortran and 4.8.4 of gcc. I'm using ubuntu and the default configuration (./setup)

Lukáš Félix Pašteka

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Oct 18, 2016, 3:50:12 PM10/18/16

to dirac-users

Hi Dylan,
it seems the interface_to_mpi wasn't correctly generated. I had a somewhat similar problem a while ago and I found that this was already answered in the forum:
https://groups.google.com/d/msg/dirac-users/gtlV_lu8YzM/dRIs07M6ka8J
At least this solution (section b in the post) worked for me perfectly, it might help you as well.
Cheers

Lukas

Dylan Hennessey

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Oct 31, 2016, 3:58:37 PM10/31/16

to dirac-users

Hello all, I've tried a few different things, but I still can't get DIRAC to install properly. I'll include the entire output for my installation process to see if anyone can figure out what is going on.

ubuntu@dylan:~/DIRAC/DIRAC-15.0-Source$ ./setup

FC=gfortran CC=gcc CXX=g++ cmake -DEXTRA_FCFLAGS="''" -DEXTRA_CFLAGS="''" -DEXTRA_CXXFLAGS="''" -DPREPROCESSOR_DEFINITIONS="''" -DPYTHON_INTERPRETER="''" -DENABLE_BLAS=auto -DENABLE_LAPACK=auto -DMKL_FLAG=off -DMATH_LIB_SEARCH_ORDER="MKL;ESSL;ATLAS;ACML;SYSTEM_NATIVE" -DBLAS_LANG=Fortran -DLAPACK_LANG=Fortran -DENABLE_MPI=False -DENABLE_CODE_COVERAGE=False -DEXPLICIT_LIBS=off -DENABLE_STATIC_LINKING=False -DENABLE_PROFILING=False -DENABLE_RUNTIMECHECK=False -DENABLE_64BIT_INTEGERS=False -DCMAKE_BUILD_TYPE=release -G "Unix Makefiles" /home/ubuntu/DIRAC/DIRAC-15.0-Source

-- The C compiler identification is GNU 4.8.4

-- The CXX compiler identification is GNU 4.8.4

-- Check for working C compiler: /usr/bin/gcc

-- Check for working C compiler: /usr/bin/gcc -- works

-- Detecting C compiler ABI info

-- Detecting C compiler ABI info - done

-- Detecting C compile features

-- Detecting C compile features - done

-- Check for working CXX compiler: /usr/bin/g++

-- Check for working CXX compiler: /usr/bin/g++ -- works

-- Detecting CXX compiler ABI info

-- Detecting CXX compiler ABI info - done

-- Detecting CXX compile features

-- Detecting CXX compile features - done

-- The Fortran compiler identification is GNU 4.6.4

-- Check for working Fortran compiler: /usr/bin/gfortran

-- Check for working Fortran compiler: /usr/bin/gfortran -- works

-- Detecting Fortran compiler ABI info

-- Detecting Fortran compiler ABI info - done

-- Checking whether /usr/bin/gfortran supports Fortran 90

-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes

-- Found PythonInterp: /usr/bin/python (found version "2.7.6")

-- Searching for BLAS using search order MKL;ESSL;ATLAS;ACML;SYSTEM_NATIVE

-- Setting -DHAVE_ATLAS_BLAS

-- Found BLAS: ATLAS (/usr/lib/atlas-base/libf77blas.so;/usr/lib/atlas-base/libcblas.so;/usr/lib/atlas-base/libatlas.so)

-- Searching for LAPACK using search order MKL;ESSL;ATLAS;ACML;SYSTEM_NATIVE

-- Setting -DHAVE_ATLAS_LAPACK

-- Found LAPACK: ATLAS (/usr/lib/atlas-base/libatlas.so;/usr/lib/atlas-base/atlas/liblapack.so)

-- The XCFun submodule ENABLED

-- Could NOT find ZLIB (missing: ZLIB_LIBRARY ZLIB_INCLUDE_DIR)

-- Polarizable Continuum Model via PCMSolver DISABLED

-- PCMSolver dependencies NOT satisfied:

-- - install dynamic Zlib development libraries

-- Stieltjes external module ENABLED

-- Unit control tests DISABLED

-- Found Git: /usr/bin/git (found version "1.9.1")

-- -------------------------------------------------------------

-- Git branch : HEAD

-- Git last commit hash :

-- Git last commit date :

-- -------------------------------------------------------------

-- User name : ubuntu

-- Host name : dylan

-- Operating system : Linux-3.13.0-66-generic

-- Python version : 2.7.6

-- CMake version : 3.7.0-rc1

-- CMake generator : Unix Makefiles

-- CMake build type : release

-- MPI parallelization : False

-- 64-bit integers : False

-- Fortran compiler : /usr/bin/gfortran

-- Fortran compiler version : GNU 4.6.4

-- Fortran compiler flags : -g -fcray-pointer -fbacktrace -fno-range-check -DVAR_GFORTRAN -DVAR_MFDS

-- C compiler : /usr/bin/gcc

-- C compiler version : GNU 4.8.4

-- C compiler flags : -g

-- C++ compiler : /usr/bin/g++

-- C++ compiler version : GNU 4.8.4

-- C++ compiler flags : -g -Wall -Wno-unknown-pragmas -Wno-sign-compare -Woverloaded-virtual -Wwrite-strings -Wno-unused

-- Static linking : False

-- Mathematical libraries : /usr/lib/atlas-base/libatlas.so;/usr/lib/atlas-base/atlas/liblapack.so;/usr/lib/atlas-base/libf77blas.so;/usr/lib/atlas-base/libcblas.so;/usr/lib/atlas-base/libatlas.so

-- Definitions : HAVE_ATLAS_BLAS;HAVE_ATLAS_LAPACK;SYS_LINUX;PRG_DIRAC;INSTALL_WRKMEM=64000000;HAS_STIELTJES;MOD_QCORR

-- Configuration time : 2016-10-31 19:36:29.599138

-- Found Sphinx: /usr/bin/sphinx-build

-- Specialized tutorial tests DISABLED

-- Specialized benchmark tests DISABLED

-- Reading of almost all basis sets input files in extra test DISABLED

-- Set CDash timeout for every single test set to 1500 seconds. Owerwritten by pam timeout setting.

-- Configuring done

-- Generating done

-- Build files have been written to: /home/ubuntu/DIRAC/DIRAC-15.0-Source/build

configure step is done

now you need to compile the sources:

$ cd build

$ make

ubuntu@dylan:~/DIRAC/DIRAC-15.0-Source$ cd build/

ubuntu@dylan:~/DIRAC/DIRAC-15.0-Source/build$ make

Scanning dependencies of target run_pamadm

[ 0%] Built target run_pamadm

Scanning dependencies of target xcfun

[ 0%] Creating directories for 'xcfun'

[ 0%] No download step for 'xcfun'

[ 0%] No patch step for 'xcfun'

[ 0%] No update step for 'xcfun'

[ 1%] Performing configure step for 'xcfun'

-- The CXX compiler identification is GNU 4.8.4

-- The C compiler identification is GNU 4.8.4

-- The Fortran compiler identification is GNU 4.6.4

-- Check for working CXX compiler: /usr/bin/g++

-- Check for working CXX compiler: /usr/bin/g++ -- works

-- Detecting CXX compiler ABI info

-- Detecting CXX compiler ABI info - done

-- Detecting CXX compile features

-- Detecting CXX compile features - done

-- Check for working C compiler: /usr/bin/gcc

-- Check for working C compiler: /usr/bin/gcc -- works

-- Detecting C compiler ABI info

-- Detecting C compiler ABI info - done

-- Detecting C compile features

-- Detecting C compile features - done

-- Check for working Fortran compiler: /usr/bin/gfortran

-- Check for working Fortran compiler: /usr/bin/gfortran -- works

-- Detecting Fortran compiler ABI info

-- Detecting Fortran compiler ABI info - done

-- Checking whether /usr/bin/gfortran supports Fortran 90

-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes

-- Configuring done

-- Generating done

-- Build files have been written to: /home/ubuntu/DIRAC/DIRAC-15.0-Source/build/external/xcfun-build

[ 1%] Performing build step for 'xcfun'

Scanning dependencies of target xcfun

[ 1%] Building CXX object src/CMakeFiles/xcfun.dir/xcfun.cpp.o

[ 3%] Building CXX object src/CMakeFiles/xcfun.dir/evaluators.cpp.o

[ 5%] Building CXX object src/CMakeFiles/xcfun.dir/functional.cpp.o

[ 7%] Building CXX object src/CMakeFiles/xcfun.dir/parameters.cpp.o

[ 9%] Building CXX object src/CMakeFiles/xcfun.dir/potential.cpp.o

[ 11%] Building C object src/CMakeFiles/xcfun.dir/fortran.c.o

[ 13%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/beckex.cpp.o

[ 15%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/brx.cpp.o

[ 16%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/ktx.cpp.o

[ 18%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/lb94.cpp.o

[ 20%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/ldaerfc.cpp.o

[ 22%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/ldaerfc_jt.cpp.o

[ 24%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/ldaerfx.cpp.o

[ 26%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/list_of_functionals.cpp.o

[ 28%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/lypc.cpp.o

[ 30%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m05c.cpp.o

[ 32%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m05x.cpp.o

[ 33%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m05x2c.cpp.o

[ 35%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m05x2x.cpp.o

[ 37%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m06c.cpp.o

[ 39%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m06hfx.cpp.o

[ 41%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m06lc.cpp.o

[ 43%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m06lx.cpp.o

[ 45%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m06x.cpp.o

[ 47%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m06x2c.cpp.o

[ 49%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/m06x2x.cpp.o

[ 50%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/optx.cpp.o

[ 52%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/p86c.cpp.o

[ 54%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/pbec.cpp.o

[ 56%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/pbex.cpp.o

[ 58%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/pw86x.cpp.o

[ 60%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/pw91k.cpp.o

[ 62%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/pw91x.cpp.o

[ 64%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/pw92c.cpp.o

[ 66%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/revpbex.cpp.o

[ 67%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/revtpssc.cpp.o

[ 69%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/revtpssx.cpp.o

[ 71%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/rpbex.cpp.o

[ 73%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/slaterx.cpp.o

[ 75%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/spbec.cpp.o

[ 77%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/tfk.cpp.o

[ 79%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/tpssc.cpp.o

[ 81%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/tpssx.cpp.o

[ 83%] Building CXX object src/CMakeFiles/xcfun.dir/functionals/vwn5c.cpp.o

[ 84%] Linking CXX static library libxcfun.a

[ 84%] Built target xcfun

Scanning dependencies of target example_fortran

[ 86%] Building Fortran object fortran/CMakeFiles/example_fortran.dir/xcfun_autogen.F90.o

[ 88%] Building Fortran object fortran/CMakeFiles/example_fortran.dir/xcfun_module.F90.o

[ 90%] Building Fortran object fortran/CMakeFiles/example_fortran.dir/example.F90.o

[ 92%] Linking Fortran executable example_fortran

[ 92%] Built target example_fortran

Scanning dependencies of target funeval

[ 94%] Building C object test/CMakeFiles/funeval.dir/funeval.c.o

[ 96%] Linking CXX executable funeval

[ 96%] Built target funeval

Scanning dependencies of target testall

[ 98%] Building C object test/CMakeFiles/testall.dir/testall.c.o

[100%] Linking CXX executable testall

[100%] Built target testall

[ 2%] Performing install step for 'xcfun'

[ 84%] Built target xcfun

[ 92%] Built target example_fortran

[ 96%] Built target funeval

[100%] Built target testall

Install the project...

-- Install configuration: "release"

-- Installing: /home/ubuntu/DIRAC/DIRAC-15.0-Source/build/external/lib/libxcfun.a

[ 2%] Completed 'xcfun'

[ 2%] Built target xcfun

Scanning dependencies of target xcfun_fortran_bindings

[ 2%] Building Fortran object CMakeFiles/xcfun_fortran_bindings.dir/src/xcfun/fortran/xcfun_autogen.F90.o

[ 2%] Building Fortran object CMakeFiles/xcfun_fortran_bindings.dir/src/xcfun/fortran/xcfun_module.F90.o

[ 3%] Linking Fortran static library libxcfun_fortran_bindings.a

[ 3%] Built target xcfun_fortran_bindings

Scanning dependencies of target check_external_timestamp_stieltjes

[ 3%] Built target check_external_timestamp_stieltjes

Scanning dependencies of target stieltjes

[ 3%] Creating directories for 'stieltjes'

[ 3%] Performing download step for 'stieltjes'

[ 4%] No patch step for 'stieltjes'

[ 4%] No update step for 'stieltjes'

[ 4%] Performing configure step for 'stieltjes'

-- The C compiler identification is GNU 4.8.4

-- The CXX compiler identification is GNU 4.8.4

-- Check for working C compiler: /usr/bin/gcc

-- Check for working C compiler: /usr/bin/gcc -- works

-- Detecting C compiler ABI info

-- Detecting C compiler ABI info - done

-- Detecting C compile features

-- Detecting C compile features - done

-- Check for working CXX compiler: /usr/bin/g++

-- Check for working CXX compiler: /usr/bin/g++ -- works

-- Detecting CXX compiler ABI info

-- Detecting CXX compiler ABI info - done

-- Detecting CXX compile features

-- Detecting CXX compile features - done

-- The Fortran compiler identification is GNU 4.6.4

-- Check for working Fortran compiler: /usr/bin/gfortran

-- Check for working Fortran compiler: /usr/bin/gfortran -- works

-- Detecting Fortran compiler ABI info

-- Detecting Fortran compiler ABI info - done

-- Checking whether /usr/bin/gfortran supports Fortran 90

-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes

-- Configuring done

-- Generating done

-- Build files have been written to: /home/ubuntu/DIRAC/DIRAC-15.0-Source/build/external/stieltjes-build

[ 4%] Performing build step for 'stieltjes'

Scanning dependencies of target stieltjes

[ 14%] Building Fortran object CMakeFiles/stieltjes.dir/stieltjes_ql_diag.f90.o

[ 28%] Building Fortran object CMakeFiles/stieltjes.dir/stieltjesmod.f90.o

[ 42%] Building C object CMakeFiles/stieltjes.dir/herm_spline.c.o

[ 57%] Linking Fortran static library libstieltjes.a

[ 57%] Built target stieltjes

Scanning dependencies of target stieltjes.x

[ 71%] Building Fortran object CMakeFiles/stieltjes.x.dir/input_routines.f90.o

[ 85%] Building Fortran object CMakeFiles/stieltjes.x.dir/driver.f90.o

[100%] Linking Fortran executable stieltjes.x

[100%] Built target stieltjes.x

[ 4%] Performing install step for 'stieltjes'

[ 57%] Built target stieltjes

[100%] Built target stieltjes.x

Install the project...

-- Install configuration: "release"

-- Installing: /home/ubuntu/DIRAC/DIRAC-15.0-Source/build/external/lib/libstieltjes.a

[ 5%] Completed 'stieltjes'

[ 5%] Built target stieltjes

Scanning dependencies of target git_info

[ 6%] Generating git_info.h

-- Found Git: /usr/bin/git (found version "1.9.1")

[ 6%] Built target git_info

Scanning dependencies of target gen_fortran_interface_h

[ 6%] Building C object CMakeFiles/gen_fortran_interface_h.dir/utils/gen_fortran_interface_h.c.o

[ 6%] Linking C executable gen_fortran_interface_h

[ 6%] Built target gen_fortran_interface_h

Scanning dependencies of target dirac_interfaces

[ 6%] Generating fortran_interface.h

[ 6%] Built target dirac_interfaces

Scanning dependencies of target dirac

warning: failed to parse dependencies from Fortran source '/home/ubuntu/DIRAC/DIRAC-15.0-Source/src/moltra/tradr3.F': syntax error, unexpected WORD

[ 7%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-pw91x.c.o

[ 7%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-pbex.c.o

[ 7%] Building C object CMakeFiles/dirac.dir/src/cfun/functionals.c.o

[ 7%] Building C object CMakeFiles/dirac.dir/src/gp/memory_sys_if.c.o

[ 7%] Building C object CMakeFiles/dirac.dir/src/cfun/general.c.o

[ 8%] Building C object CMakeFiles/dirac.dir/src/gp/trace.c.o

[ 8%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-kin_vw.c.o

[ 8%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-srpbec.c.o

[ 8%] Building C object CMakeFiles/dirac.dir/src/krmc/gendet.c.o

[ 8%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-rpbex.c.o

[ 9%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-optx.c.o

[ 9%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-lbalpha.c.o

[ 9%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-gga.c.o

[ 9%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-vwn.c.o

[ 9%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-kin_tf.c.o

[ 10%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-gllb_hole.c.o

[ 10%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-kin_pw91k.c.o

[ 10%] Building C object CMakeFiles/dirac.dir/src/gp/print_info.c.o

[ 10%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-pz81.c.o

[ 10%] Building C object CMakeFiles/dirac.dir/src/gp/stacktraverse_bsd.c.o

[ 11%] Building C object CMakeFiles/dirac.dir/src/gp/execinfo_bsd.c.o

[ 11%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-pw86x.c.o

[ 11%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-pw91c.c.o

[ 11%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-pbec.c.o

[ 11%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-lyp.c.o

[ 12%] Building C object CMakeFiles/dirac.dir/src/gp/gpc.c.o

[ 12%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-hjsx.c.o

[ 12%] Building C object CMakeFiles/dirac.dir/src/cfun/emb-functional.c.o

[ 12%] Building C object CMakeFiles/dirac.dir/src/relccsd/ccunix.c.o

[ 12%] Building C object CMakeFiles/dirac.dir/src/lucita/flush_stdout.c.o

[ 13%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-cam.c.o

[ 13%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-revpbex.c.o

[ 13%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-becke.c.o

[ 13%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-slater.c.o

[ 14%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-srvwn5.c.o

[ 14%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-lb94.c.o

[ 14%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-kt.c.o

[ 14%] Building C object CMakeFiles/dirac.dir/src/cfun/fun-p86c.c.o

[ 14%] Building Fortran object CMakeFiles/dirac.dir/src/embedding/emb_cfg.F90.o

[ 15%] Building Fortran object CMakeFiles/dirac.dir/src/pcm/pcm_gp.F90.o

/home/ubuntu/DIRAC/DIRAC-15.0-Source/src/pcm/pcm_gp.F90:72.26:

use interface_to_mpi

1

Fatal Error: Can't open module file 'interface_to_mpi.mod' for reading at (1): No such file or directory

make[2]: *** [CMakeFiles/dirac.dir/src/pcm/pcm_gp.F90.o] Error 1

make[1]: *** [CMakeFiles/dirac.dir/all] Error 2

make: *** [all] Error 2

I have also tries using a different computer. This new one is running centos and I tries using the PGI compilers. This give the following output.

(tc)DIRAC-15.0-Source[3811] ./setup --fc=pgfortran --cc=pgcc --cxx=pgc++

FC=pgfortran CC=pgcc CXX=pgc++ cmake -DEXTRA_FCFLAGS="''" -DEXTRA_CFLAGS="''" -DEXTRA_CXXFLAGS="''" -DPREPROCESSOR_DEFINITIONS="''" -DPYTHON_INTERPRETER="''" -DENABLE_BLAS=auto -DENABLE_LAPACK=auto -DMKL_FLAG=off -DMATH_LIB_SEARCH_ORDER="MKL;ESSL;ATLAS;ACML;SYSTEM_NATIVE" -DBLAS_LANG=Fortran -DLAPACK_LANG=Fortran -DENABLE_MPI=False -DENABLE_CODE_COVERAGE=False -DEXPLICIT_LIBS=off -DENABLE_STATIC_LINKING=False -DENABLE_PROFILING=False -DENABLE_RUNTIMECHECK=False -DENABLE_64BIT_INTEGERS=False -DCMAKE_BUILD_TYPE=release -G "Unix Makefiles" /home/dylan/DIRAC/DIRAC-15.0-Source

-- The C compiler identification is PGI 16.9.0

-- The CXX compiler identification is PGI 16.9.0

-- Check for working C compiler: /opt/pgi/linux86-64/16.9/bin/pgcc

-- Check for working C compiler: /opt/pgi/linux86-64/16.9/bin/pgcc -- works

-- Detecting C compiler ABI info

-- Detecting C compiler ABI info - done

-- Check for working CXX compiler: /opt/pgi/linux86-64/16.9/bin/pgc++

-- Check for working CXX compiler: /opt/pgi/linux86-64/16.9/bin/pgc++ -- works

-- Detecting CXX compiler ABI info

-- Detecting CXX compiler ABI info - done

-- The Fortran compiler identification is PGI

-- Check for working Fortran compiler: /opt/pgi/linux86-64/16.9/bin/pgfortran

-- Check for working Fortran compiler: /opt/pgi/linux86-64/16.9/bin/pgfortran -- works

-- Detecting Fortran compiler ABI info

-- Detecting Fortran compiler ABI info - done

-- Checking whether /opt/pgi/linux86-64/16.9/bin/pgfortran supports Fortran 90

-- Checking whether /opt/pgi/linux86-64/16.9/bin/pgfortran supports Fortran 90 -- yes

-- Found PythonInterp: /usr/bin/python (found version "2.6.6")

-- Searching for BLAS using search order MKL;ESSL;ATLAS;ACML;SYSTEM_NATIVE

-- Setting -DHAVE_ATLAS_BLAS

-- Found BLAS: ATLAS (/usr/local/lib/libf77blas.a;/usr/local/lib/libcblas.a;/usr/local/lib/libatlas.a)

-- Searching for LAPACK using search order MKL;ESSL;ATLAS;ACML;SYSTEM_NATIVE

-- Setting -DHAVE_ATLAS_LAPACK

-- Found LAPACK: ATLAS (/usr/local/lib/libatlas.a;/usr/local/lib/liblapack.a)

-- The XCFun submodule ENABLED

-- Found ZLIB: /usr/lib64/libz.so (found version "1.2.3")

-- Polarizable Continuum Model via PCMSolver ENABLED

-- Stieltjes external module ENABLED

-- Unit control tests DISABLED

-- Could NOT find Git (missing: GIT_EXECUTABLE)

-- User name : dylan

-- Host name : tc

-- Operating system : Linux-2.6.32-642.1.1.el6.x86_64

-- Python version : 2.6.6

-- CMake version : 2.8.12.2

-- CMake generator : Unix Makefiles

-- CMake build type : release

-- MPI parallelization : False

-- 64-bit integers : False

-- Fortran compiler : /opt/pgi/linux86-64/16.9/bin/pgfortran

-- Fortran compiler version : PGI 16.9

-- Fortran compiler flags : -Mpreprocess -Kieee -DVAR_PGF90

-- C compiler : /opt/pgi/linux86-64/16.9/bin/pgcc

-- C compiler version : PGI 16.9

-- C compiler flags : -g

-- C++ compiler : /opt/pgi/linux86-64/16.9/bin/pgc++

-- C++ compiler version : PGI 16.9

-- C++ compiler flags : -g

-- Static linking : False

-- Mathematical libraries : /usr/local/lib/libatlas.a;/usr/local/lib/liblapack.a;/usr/local/lib/libf77blas.a;/usr/local/lib/libcblas.a;/usr/local/lib/libatlas.a

-- Definitions : HAVE_ATLAS_BLAS;HAVE_ATLAS_LAPACK;SYS_LINUX;PRG_DIRAC;INSTALL_WRKMEM=64000000;HAS_PCMSOLVER;HAS_STIELTJES;MOD_QCORR

-- Configuration time : 2016-10-31 12:54:14.298935

-- Could NOT find Sphinx (missing: SPHINX_EXECUTABLE)

-- Specialized tutorial tests DISABLED

-- Specialized benchmark tests DISABLED

-- Reading of almost all basis sets input files in extra test DISABLED

-- Set CDash timeout for every single test set to 1500 seconds. Owerwritten by pam timeout setting.

-- Configuring done

-- Generating done

-- Build files have been written to: /home/dylan/DIRAC/DIRAC-15.0-Source/build

configure step is done

now you need to compile the sources:

$ cd build

$ make

(tc)DIRAC-15.0-Source[3811] cd build/

(tc)build[3811] make

Scanning dependencies of target build_info

[ 0%] Built target build_info

Scanning dependencies of target xcfun

[ 0%] Creating directories for 'xcfun'

[ 0%] No download step for 'xcfun'

[ 1%] No patch step for 'xcfun'

[ 1%] No update step for 'xcfun'

[ 1%] Performing configure step for 'xcfun'

-- The CXX compiler identification is PGI 16.9.0

-- The C compiler identification is PGI 16.9.0

-- The Fortran compiler identification is PGI

-- Check for working CXX compiler: /opt/pgi/linux86-64/16.9/bin/pgc++

-- Check for working CXX compiler: /opt/pgi/linux86-64/16.9/bin/pgc++ -- works

-- Detecting CXX compiler ABI info

-- Detecting CXX compiler ABI info - done

-- Check for working C compiler: /opt/pgi/linux86-64/16.9/bin/pgcc

-- Check for working C compiler: /opt/pgi/linux86-64/16.9/bin/pgcc -- works

-- Detecting C compiler ABI info

-- Detecting C compiler ABI info - done

-- Check for working Fortran compiler: /opt/pgi/linux86-64/16.9/bin/pgfortran

-- Check for working Fortran compiler: /opt/pgi/linux86-64/16.9/bin/pgfortran -- works

-- Detecting Fortran compiler ABI info

-- Detecting Fortran compiler ABI info - done

-- Checking whether /opt/pgi/linux86-64/16.9/bin/pgfortran supports Fortran 90

-- Checking whether /opt/pgi/linux86-64/16.9/bin/pgfortran supports Fortran 90 -- yes

added libstdc++ to linker flags of xcfun due to PGI

-- Configuring done

-- Generating done

-- Build files have been written to: /home/dylan/DIRAC/DIRAC-15.0-Source/build/external/xcfun-build

[ 1%] Performing build step for 'xcfun'

Scanning dependencies of target xcfun

[ 2%] Building CXX object src/CMakeFiles/xcfun.dir/xcfun.cpp.o

"/home/dylan/DIRAC/DIRAC-15.0-Source/src/xcfun/src/xcfun.cpp", line 323:

warning: function "ueg_tau" was declared but never referenced

static ireal_t ueg_tau(ireal_t na)

^

/tmp/pgc++UsWhkpdux3VV.s: Assembler messages:

/tmp/pgc++UsWhkpdux3VV.s:932: Error: suffix or operands invalid for `vpxor'

/tmp/pgc++UsWhkpdux3VV.s:945: Error: suffix or operands invalid for `vpaddd'

/tmp/pgc++UsWhkpdux3VV.s:947: Error: no such instruction: `vextracti128 $1,%ymm0,%xmm1'

/tmp/pgc++UsWhkpdux3VV.s:994: Error: suffix or operands invalid for `vpxor'

/tmp/pgc++UsWhkpdux3VV.s:1003: Error: suffix or operands invalid for `vpaddd'

/tmp/pgc++UsWhkpdux3VV.s:1009: Error: no such instruction: `vextracti128 $1,%ymm0,%xmm1'

/tmp/pgc++UsWhkpdux3VV.s:2011: Error: suffix or operands invalid for `vpxor'

/tmp/pgc++UsWhkpdux3VV.s:2024: Error: suffix or operands invalid for `vpaddd'

/tmp/pgc++UsWhkpdux3VV.s:2026: Error: no such instruction: `vextracti128 $1,%ymm0,%xmm1'

/tmp/pgc++UsWhkpdux3VV.s:2073: Error: suffix or operands invalid for `vpxor'

/tmp/pgc++UsWhkpdux3VV.s:2082: Error: suffix or operands invalid for `vpaddd'

/tmp/pgc++UsWhkpdux3VV.s:2088: Error: no such instruction: `vextracti128 $1,%ymm0,%xmm1'

make[5]: *** [src/CMakeFiles/xcfun.dir/xcfun.cpp.o] Error 2

make[4]: *** [src/CMakeFiles/xcfun.dir/all] Error 2

make[3]: *** [all] Error 2

make[2]: *** [external/xcfun-stamp/xcfun-build] Error 2

make[1]: *** [CMakeFiles/xcfun.dir/all] Error 2

make: *** [all] Error 2

(tc)build[3811]

Elham Ashori

unread,

Nov 1, 2016, 9:43:26 AM11/1/16

to dirac...@googlegroups.com

Hi Dylan

I installed the Dirac15 version in serial and sequential mode using the following setup script.

serial mode
$ ./setup --fc=mpif90 --cc=mpicc --cxx=mpicxx -D ENABLE_PCMSOLVER=OFF

$ cd build
$ make

Sequential mode
$./setup --fc=ifort --cc=icc --cxx=icpc --mkl=parallel -D ENABLE_PCMSOLVER=OFF

$ cd build
$ make

maybe useful for you.

Best Regards

Elham

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Radovan Bast

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Nov 2, 2016, 5:55:23 AM11/2/16

to dirac...@googlegroups.com

dear Dylan,

On Mon, Oct 31, 2016 at 8:58 PM, Dylan Hennessey <dhen...@ualberta.ca> wrote:

/home/ubuntu/DIRAC/DIRAC-15.0-Source/src/pcm/pcm_gp.F90:72.26:

use interface_to_mpi
1
Fatal Error: Can't open module file 'interface_to_mpi.mod' for reading at (1): No such file or directory
make[2]: *** [CMakeFiles/dirac.dir/src/pcm/pcm_gp.F90.o] Error 1
make[1]: *** [CMakeFiles/dirac.dir/all] Error 2
make: *** [all] Error 2

it is really unfortunate that your compilation fails at an MPI file since you want to build a sequential version.

this also means that Lukas' hints will probably not help you (also the file paths have moved in the meantime).

the module interface_to_mpi should be built also for sequential runs - this is IMO not ideal but it is not a source of your error.

what CMake version are you running? which Ubuntu version?

strange that nobody else sees this since Ubuntu and GNU compilers is the most standard combination in DIRAC I believe.

best regards,

radovan

Dylan Hennessey

unread,

Nov 2, 2016, 12:13:50 PM11/2/16

to dirac-users

Hello Radovan,

I'm using Ubuntu 14.04.3 LTS and 3.7.0-rc1 of cmake. I'm running this on a cloud computer in case that makes a difference. I was able to get GAMESS and Gaussian to work, so I don't think that's the issue though.

Thanks for helping with this!

Dylan

Radovan Bast

unread,

Nov 3, 2016, 2:08:33 PM11/3/16

to dirac...@googlegroups.com

On Wed, Nov 2, 2016 at 5:13 PM Dylan Hennessey <dhen...@ualberta.ca> wrote:

Hello Radovan,

I'm using Ubuntu 14.04.3 LTS and 3.7.0-rc1 of cmake. I'm running this on a cloud computer in case that makes a difference. I was able to get GAMESS and Gaussian to work, so I don't think that's the issue though.

Thanks for helping with this!

Dylan