[CP2K-user] ELPA compile error when install cp2k 7.1

[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：
>
> 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.
>
> On Monday, April 6, 2020 at 9:15:50 AM UTC+8, zhijian fu wrote:
>>
>> 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：
>>>
>>> HI,
>>> Change your python 3 to python2 will be ok. Edit the first line of  
>>> remove_xcompiler to 
>>> #!/usr/bin/env python2
>>>
>>>
>>> On Sunday, April 5, 2020 at 4:28:48 PM UTC+8, zhijian fu wrote:
>>>>
>>>> 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!
>>>>
>>>
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