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

zhijian fu jian... at gmail.com
Sun Apr 5 08:28:48 UTC 2020


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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