[CP2K-user] install error w/scalapack on centos cluster

cb4cp2k crlb... at gmail.com
Fri Dec 7 23:14:20 UTC 2018


Here is content of my ...make.log. Thanks in advance.

( cd BLACS; make lib )
make[1]: Entering directory 
`/lustre/project/USER/cp2k/cp2k-6.1/tools/toolchain/build/scalapack-2.0.2/BLACS'
( cd SRC ; make )
make[2]: Entering directory 
`/lustre/project/USER/cp2k/cp2k-6.1/tools/toolchain/build/scalapack-2.0.2/BLACS/SRC'
mpicc -c -DAdd_ -O2 -ftree-vectorize -g -fno-omit-frame-pointer 
-march=native -ffast-math  -m64 
-I/share/apps/intel_parallel_studio_xe/2015_update1/composer_xe_2015.1.133/mkl/include 
BI_HypBS.c
/cm/shared/apps/mpich/ge/open64/64/3.1/bin/mpicc: line 269: opencc: command 
not found
make[2]: *** [BI_HypBS.o] Error 127
make[2]: Leaving directory 
`/lustre/project/USER/cp2k/cp2k-6.1/tools/toolchain/build/scalapack-2.0.2/BLACS/SRC'
make[1]: *** [lib] Error 2
make[1]: Leaving directory 
`/lustre/project/USER/cp2k/cp2k-6.1/tools/toolchain/build/scalapack-2.0.2/BLACS'
make: *** [blacslib] Error 2


On Monday, December 3, 2018 at 3:38:57 PM UTC-6, Anton Kudelin wrote:

> Check make.log in $HOME/cp2k/cp2k-6.1/tools/toolchain/build/scalapack-2.0.2
>
> понедельник, 3 декабря 2018 г., 23:58:50 UTC+3 пользователь cb4cp2k 
> написал:
>>
>> Dear All,
>>
>> Currently Loaded Modulefiles:
>>   1) slurm/14.03.0                      4) 
>> intel-psxe/2015-update1(default)
>>   2) idev                               5) mpich/ge/open64/64/3.1
>>   3) bbcp/amd64_rhel60                  6) lapack/open64/64/3.5.0
>>
>> Here/below is my latest attempt on a compute node.
>>
>> Please let me know if I can provide more info. Thanks in advance.
>>
>> Best,
>> CB
>>
>> <my CLI prompt>./install_cp2k_toolchain.sh | tee install-log
>> MPI is detected and it appears to be MPICH
>> nvcc not found, disabling CUDA by default
>> Compiling with 20 processes.
>> ==================== Finding binutils from system paths 
>> ====================
>> path to ar is  /usr/bin/ar
>> path to ld is  /usr/bin/ld
>> path to ranlib is  /usr/bin/ranlib
>> ==================== Finding make from system paths ====================
>> path to make is  /usr/bin/make
>> ==================== Finding GCC from system paths ====================
>> path to gcc is  /usr/bin/gcc
>> path to g++ is  /usr/bin/g++
>> path to gfortran is  /usr/bin/gfortran
>> Found include directory /usr/include
>> Found lib directory /usr/lib64
>> ==================== Getting proc arch info using OpenBLAS tools 
>> ====================
>> OpenBLAS detected LIBCORE = sandybridge
>> OpenBLAS detected ARCH    = x86_64
>> ==================== Finding MPICH from system paths ====================
>> path to mpirun is  /cm/shared/apps/mpich/ge/open64/64/3.1/bin/mpirun
>> path to mpicc is  /cm/shared/apps/mpich/ge/open64/64/3.1/bin/mpicc
>> path to mpif90 is  /cm/shared/apps/mpich/ge/open64/64/3.1/bin/mpif90
>> path to mpic++ is  /cm/shared/apps/mpich/ge/open64/64/3.1/bin/mpic++
>> libmpi is found in ld search path
>> libmpicxx is found in ld search path
>> Found lib directory 
>> /share/apps/intel_parallel_studio_xe/2015_update1/impi/
>> 5.0.2.044/intel64/lib
>> ==================== Installing LAPACK ====================
>> lapack-3.8.0 is already installed, skipping it.
>> ==================== Finding MKL from system paths ====================
>> MKLROOT is found to be 
>> /share/apps/intel_parallel_studio_xe/2015_update1/composer_xe_2015.1.133/mkl
>> libm is found in ld search path
>> libdl is found in ld search path
>> ==================== Installing FFTW ====================
>> fftw-3.3.7 is already installed, skipping it.
>> ==================== Installing LIBINT ====================
>> libint-1.1.6 is already installed, skipping it.
>> ==================== Installing LIBXC ====================
>> libxc-4.0.3 is already installed, skipping it.
>> ==================== Installing Libxsmm ====================
>> libxsmm-1.9.0 is already installed, skipping it.
>> ==================== Installing ScaLAPACK ====================
>> --2018-12-03 13:54:22--  
>> https://www.cp2k.org/static/downloads/scalapack-2.0.2.tgz
>> Resolving www.cp2k.org... 94.130.188.107, 2a01:4f8:1c0c:8038::1
>> Connecting to www.cp2k.org|94.130.188.107|:443... connected.
>> HTTP request sent, awaiting response... 200 OK
>> Length: 4779534 (4.6M) [application/x-gzip]
>> Saving to: “scalapack-2.0.2.tgz”
>>
>> 100%[===================================================>] 4,779,534    
>> 836K/s   in 5.9s
>>
>> 2018-12-03 13:54:28 (797 KB/s) - “scalapack-2.0.2.tgz” saved 
>> [4779534/4779534]
>>
>> scalapack-2.0.2.tgz: OK
>> Checksum of scalapack-2.0.2.tgz Ok
>> Installing from scratch into 
>> /lustre/project/hpcstaff/<USER>/cp2k/cp2k-6.1/tools/toolchain/install/scalapack-2.0.2
>> ERROR: 
>> (/lustre/project/hpcstaff/<USER>/cp2k/cp2k-6.1/tools/toolchain/scripts/install_scalapack.sh, 
>> line 58) Non-zero exit code detected.
>>
>>
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