Issues with make test

[Giorgio Visentin]

Dear Sirs,

my name is Giorgio Visentin. I am compiling EXP-T on an HPC. The compiling and make steps seem to go smoothly. In fact, I get the following output:

-- The C compiler identification is GNU 8.3.0
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/gcc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- The CXX compiler identification is GNU 8.3.0
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- The Fortran compiler identification is GNU 8.3.0
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Check for working Fortran compiler: /usr/bin/gfortran - skipped
-- Checking whether /usr/bin/gfortran supports Fortran 90
-- Checking whether /usr/bin/gfortran supports Fortran 90 - yes
-- Found OpenMP_C: -fopenmp (found version "4.5")
-- Found OpenMP_CXX: -fopenmp (found version "4.5")
-- Found OpenMP_Fortran: -fopenmp (found version "4.5")
-- Found OpenMP: TRUE (found version "4.5")  
-- OpenMP_C_FLAGS       : -fopenmp
-- OpenMP_C_INCLUDE_DIRS:
-- OpenMP_C_LIBRARIES   : /usr/lib/gcc/x86_64-linux-gnu/8/libgomp.so/usr/lib/x86_64-linux-gnu/libpthread.so
-- Try BLAS vendor: Intel
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed
-- Looking for pthread_create in pthreads
-- Looking for pthread_create in pthreads - not found
-- Looking for pthread_create in pthread
-- Looking for pthread_create in pthread - found
-- Found Threads: TRUE  
-- Could NOT find BLAS (missing: BLAS_LIBRARIES)
-- Try BLAS vendor: Intel10_32
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - not found
-- Could NOT find BLAS (missing: BLAS_LIBRARIES)
-- Try BLAS vendor: Intel10_64lp
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - not found
-- Could NOT find BLAS (missing: BLAS_LIBRARIES)
-- Try BLAS vendor: Intel10_64lp_seq
-- Looking for Fortran sgemm
CMake Warning at /u/gvisenti/EXP-T-master/build/CMakeFiles/CMakeTmp/CMakeLists.txt:14 (add_executable):
  Cannot generate a safe runtime search path for target cmTC_da50b because
  files in some directories may conflict with libraries in implicit
  directories:

    runtime library [libmkl_sequential.so] in /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/gcc-8.3.0/intel-mkl-2020.4.304-wcz55b7qqq66b7lh5vqt6qt7ftlkwa3z/mkl/lib/intel64_lin may be hidden by files in:
      /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/gcc-8.3.0/intel-mkl-2020.4.304-wcz55b7qqq66b7lh5vqt6qt7ftlkwa3z/mkl/lib/ia32_lin

  Some of these libraries may not be found correctly.


-- Looking for Fortran sgemm - not found
-- Could NOT find BLAS (missing: BLAS_LIBRARIES)
-- Try BLAS vendor: Intel10_64ilp
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - not found
-- Could NOT find BLAS (missing: BLAS_LIBRARIES)
-- Try BLAS vendor: Intel10_64ilp_seq
-- Looking for Fortran sgemm
CMake Warning at /u/gvisenti/EXP-T-master/build/CMakeFiles/CMakeTmp/CMakeLists.txt:14 (add_executable):
  Cannot generate a safe runtime search path for target cmTC_2dd0a because
  files in some directories may conflict with libraries in implicit
  directories:

    runtime library [libmkl_sequential.so] in /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/gcc-8.3.0/intel-mkl-2020.4.304-wcz55b7qqq66b7lh5vqt6qt7ftlkwa3z/mkl/lib/intel64_lin may be hidden by files in:
      /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/gcc-8.3.0/intel-mkl-2020.4.304-wcz55b7qqq66b7lh5vqt6qt7ftlkwa3z/mkl/lib/ia32_lin

  Some of these libraries may not be found correctly.


-- Looking for Fortran sgemm - not found
-- Could NOT find BLAS (missing: BLAS_LIBRARIES)
-- Try BLAS vendor: Intel10_64_dyn
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - found
-- Found BLAS: /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/gcc-8.3.0/intel-mkl-2020.4.304-wcz55b7qqq66b7lh5vqt6qt7ftlkwa3z/mkl/lib/intel64_lin/libmkl_rt.so;-lpthread;-lm;-ldl  
-- MKL environment detected
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - found
-- Found BLAS: /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/intel-19.1.1.217/openblas-0.3.10-7nlsfcy5ljvisywfsjmzvb3jax6d4y7a/lib/libopenblas.so  
-- OpenBLAS environment detected
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - not found
-- Found BLAS: /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/gcc-8.3.0/intel-mkl-2020.4.304-wcz55b7qqq66b7lh5vqt6qt7ftlkwa3z/mkl/lib/intel64_lin/libmkl_rt.so;-lpthread;-lm;-ldl  
-- BLAS_LINKER_FLAGS =  -mkl=parallel
-- BLAS_LIBRARIES = /cvmfs/vae.gsi.de/debian10/develop/spack-0.17/opt/linux-debian10-x86_64/gcc-8.3.0/intel-mkl-2020.4.304-wcz55b7qqq66b7lh5vqt6qt7ftlkwa3z/mkl/lib/intel64_lin/libmkl_rt.so-lpthread-lm-ldl
-- BLAS_OPTIONS =  -DBLAS_MKL
-- Configuring done
-- Generating done
-- Build files have been written to: /u/gvisenti/EXP-T-master/build

and all the executables are generated.

Upon running the test as make test, all the tests fail with the following outcome:

Errors while running CTest
Output from these tests are in: /u/gvisenti/EXP-T-master/build/Testing/Temporary/LastTest.log
Use "--rerun-failed --output-on-failure" to re-run the failed cases verbosely.
make: *** [Makefile:81: test] Error 8

I also tried to check each python script one by one, but all the generated files are blank.

I did the same process in another HPC that I use, with the same outcome.

How may I fix this issue?

Thank you very much for your time and attention.

Yours, faithfully,

Giorgio Visentin

[Александр Олейниченко]

Dear Giorgio,

Thank you very much for your interest in the EXP-T package! Two questions,

1. Which EXP-T distribution do you use? (from our website or from github)

2. Please, could you check if the "pam" command is added to the PATH env variable and works? (it is necessary for the successful completion of tests since the DIRAC software is used to generate molecular integrals)

With best regards,

Alexander

чт, 13 июл. 2023 г. в 19:05, Giorgio Visentin <grgvi...@gmail.com>:

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[Александр Олейниченко]

Dear Giorgio,

Dear Professor Oleynichenko,

 

I'm not a professor, just Alexander :)

 

I use the version downloaded from GitHub;

 

OK

I didn't add pam to the path script, as I usually provide the full path to its folder in the bash script to run a dirac computation. Should I temporarily add pam to the path script  to make exp-t work?

Yes, it must be added to the PATH variable (at least just temporarily to run the test set).

 

Thanks a lot for your help.

 

You are welcome :)

Regards,

Alexander

 

Best wishes,

Giorgio