ELPA compile error when install cp2k 7.1

[zhijian fu]

Hello, I want to install cp2k 7.1 using intel compiler, but when I install ELPA library, there is an error,

The compile setting:

../configure  \

--prefix="/home/sunlight/work2/cp2k/libs/libelpa/201911001" \

--libdir="/home/sunlight/work2/cp2k/libs/libelpa/201911001/lib" \

--enable-openmp=no \

--enable-shared=no \

--enable-static=yes \

--enable-avx=yes \

--enable-avx2=yes \

--enable-avx512=yes \

--enable-option-checking=fatal \

FC=/opt/intel2020up1/compilers_and_libraries_2020.1.217/linux/mpi/intel64/bin/mpiifort \

CC=/opt/intel2020up1/compilers_and_libraries_2020.1.217/linux/mpi/intel64/bin/mpiicc \

CXX=/opt/intel2020up1/compilers_and_libraries_2020.1.217/linux/mpi/intel64/bin/mpiicpc \

FCFLAGS="-O3 -xAVX2" CFLAGS="-O3 -xAVX2" \

SCALAPACK_LDFLAGS="-L/opt/intel2020up1/mkl/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread " \

SCALAPACK_FCFLAGS="-I/opt/intel2020up1/mkl/include/intel64/lp64" \

 >configure.log 2>&1

The error is:

Traceback (most recent call last):

  File "../remove_xcompiler", line 6, in <module>

    os.execvp(args[0], args[0:])

  File "/opt/intel2020up1/intelpython3/lib/python3.7/os.py", line 574, in execvp

    _execvpe(file, args)

  File "/opt/intel2020up1/intelpython3/lib/python3.7/os.py", line 597, in _execvpe

    exec_func(file, *argrest)

FileNotFoundError: [Errno 2] No such file or directory

Could you give me some advice?

Thank you!

[Linfeng Gan]

HI,

Change your python 3 to python2 will be ok. Edit the first line of  remove_xcompiler to

#!/usr/bin/env python2

[zhijian fu]

Hi,

but I change the python3 to python2. The error still exists:

Traceback (most recent call last):

  File "../remove_xcompiler", line 6, in <module>

  File "../remove_xcompiler", line 6, in <module>

        os.execvp(args[0], args[0:])

os.execvp(args[0], args[0:])

  File "/usr/lib64/python2.7/os.py", line 346, in execvp

  File "/usr/lib64/python2.7/os.py", line 346, in execvp

        _execvpe(file, args)

_execvpe(file, args)

  File "/usr/lib64/python2.7/os.py", line 370, in _execvpe

  File "/usr/lib64/python2.7/os.py", line 370, in _execvpe

        func(file, *argrest)

func(file, *argrest)

OSErrorOSError: : [Errno 2] No such file or directory[Errno 2] No such file or directory

在 2020年4月6日星期一 UTC+8上午7:45:05，Linfeng Gan写道：

[Linfeng Gan]

Um, interesting. It works fine with elpa 2018.11 and elpa 2019.05. I hasn't try 2019.11 version yet. I will check this later.

[zhijian fu]

Hi, the compiler environment is CENTOS 8, intel parallel_studio_xe_2020.1.102, but I try elpa 2019.05, the error also exists:

  F90 DEPS /home/sunlight/work2/cp2k/libs/libelpa/elpa-2019.05.001/build/.fortran_dependencies/dependencies.mk

  PPFC     src/libelpa_public_la-elpa_constants.lo

Traceback (most recent call last):

  File "../remove_xcompiler", line 6, in <module>

    os.execvp(args[0], args[0:])

  File "/opt/intel2020up1/intelpython3/lib/python3.7/os.py", line 574, in execvp

    _execvpe(file, args)

  File "/opt/intel2020up1/intelpython3/lib/python3.7/os.py", line 597, in _execvpe

    exec_func(file, *argrest)

FileNotFoundError: [Errno 2] No such file or directory

make[1]: *** [Makefile:16610：src/libelpa_public_la-elpa_constants.lo] error 1

make[1]: /home/sunlight/work2/cp2k/libs/libelpa/elpa-2019.05.001/build

make: *** [Makefile:12928：all] error 2

在 2020年4月6日星期一 UTC+8上午9:41:27，Linfeng Gan写道：

[Linfeng Gan]

Hi,

Try with python 2 again?

On Sunday, April 5, 2020 at 4:28:48 PM UTC+8, zhijian fu wrote:

[zhijian fu]

Hi, I change to python2 to compile elpa 2019.05.001, but the error still exists:

Traceback (most recent call last):

  File "../remove_xcompiler", line 6, in <module>

    os.execvp(args[0], args[0:])

  File "/usr/lib64/python2.7/os.py", line 346, in execvp

    _execvpe(file, args)

  File "/usr/lib64/python2.7/os.py", line 370, in _execvpe

    func(file, *argrest)

OSError: [Errno 2] No such file or directory

make[1]: *** [Makefile:16610：src/libelpa_public_la-elpa_constants.lo] error 1

在 2020年4月7日星期二 UTC+8下午4:12:54，Linfeng Gan写道：

[Krack Matthias (PSI)]

Hi

 

The error message is quite clear. The file “../remove_xcompiler” is missing and that’s not a python issue. I encountered the same problem quite a while ago. I looked for that file and copied it to the requested location to please the installer. That worked.

 

HTH

 

Matthias

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[zhijian fu]

Hi, what does "the file "remove_xcompiler" is missing" mean?  I created a "build" directory for installing, and the file "remove_xcompiler" is in the previous directory. where is the requested location？

在 2020年4月9日星期四 UTC+8下午5:58:54，Matthias Krack写道：

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