[CP2K-user] [CP2K:20612] Re: CP2k Installation Error

bharat poudel bharatpoudel3 at gmail.com
Fri Aug 23 18:30:06 UTC 2024
Previous message (by thread): [CP2K-user] [CP2K:20611] Re: CP2k Installation Error
Next message (by thread): [CP2K-user] [CP2K:20616] Re: CP2k Installation Error
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
Sorry for the typo in earlier email.

I got this error while installing dbcsr.

[ 81%] Built target dbcsr

[ 84%] Built target dbcsr_c

[ 85%] Built target dbcsr_perf

[ 86%] Built target dbcsr_unittest_common

[ 88%] Built target dbcsr_unittest1

[ 88%] Built target dbcsr_unittest2

[ 89%] Built target dbcsr_unittest3

[ 91%] Built target dbcsr_unittest4

[ 91%] Built target dbcsr_tensor_unittest

[ 92%] Built target dbcsr_tas_unittest

[ 92%] Built target dbcsr_test_csr_conversions

[ 94%] Built target dbcsr_test

[ 95%] Built target dbcsr_tensor_test

[ 97%] Built target dbcsr_example_1

[ 97%] Built target dbcsr_example_2

[ 98%] Built target dbcsr_example_3

[ 98%] Built target dbcsr_tensor_example_1

[ 98%] *Linking Fortran executable dbcsr_example_3_cpp*

CMakeFiles/dbcsr_example_3_cpp.dir/dbcsr_example_3.cpp.o: In function 
`main':

/qscratch/bpoudel/apps/dbcsr/examples/dbcsr_example_3.cpp:34: multiple 
definition of `main'

/projects/global/toss4/compilers/intel/intel_2021/oneapi/compiler/2021.3.0/linux/bin/intel64/../../compiler/lib/intel64_lin/for_main.o:for_main.c:(.text+0x0): 
first defined here

/projects/global/toss4/compilers/intel/intel_2021/oneapi/compiler/2021.3.0/linux/bin/intel64/../../compiler/lib/intel64_lin/for_main.o: 
In function `main':

for_main.c:(.text+0x2e): undefined reference to `MAIN__'

make[2]: *** [examples/CMakeFiles/dbcsr_example_3_cpp.dir/build.make:109: 
examples/dbcsr_example_3_cpp] Error 1

make[1]: *** [CMakeFiles/Makefile2:1638: 
examples/CMakeFiles/dbcsr_example_3_cpp.dir/all] Error 2

make: *** [Makefile:146: all] Error 2


Is it something relaetd to Fortran??

Bharat
On Friday, August 23, 2024 at 12:21:28 PM UTC-6 bharat poudel wrote:

> HI Johan,
>
> The openmpi versions openmpi-5.0.5
> The cp2k version is the latest one 2024.
>
> Even while installing discrete I got this error
>
> /qscratch/bpoudel/apps/dbcsr/examples/dbcsr_tensor_example_1.F(698): 
> remark #8291: Recommended relationship between field width 'W' and the 
> number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
>
>          write (io_unit, "(a,t73,es8.2)") "performance: total number of 
> flops:", real(nflop_sum*numnodes)
>
> -----------------------------------^
>
> /qscratch/bpoudel/apps/dbcsr/examples/dbcsr_tensor_example_1.F(834): 
> remark #8291: Recommended relationship between field width 'W' and the 
> number of fractional digits 'D' in this edit descriptor is 'W>=D+7'.
>
>          write (io_unit, "(a,t73,es8.2)") "performance (batched): total 
> number of flops:", real(nflop_sum*numnodes)
>
> -----------------------------------^
>
> [ 98%] *Linking Fortran executable dbcsr_tensor_example_1*
>
> [ 98%] Built target dbcsr_tensor_example_1
>
> [ 98%] Building CXX object 
> examples/CMakeFiles/dbcsr_example_3_cpp.dir/dbcsr_example_3.cpp.o
>
> [ 98%] *Linking Fortran executable dbcsr_example_3_cpp*
>
> CMakeFiles/dbcsr_example_3_cpp.dir/dbcsr_example_3.cpp.o: In function 
> `main':
>
> /qscratch/bpoudel/apps/dbcsr/examples/dbcsr_example_3.cpp:34: multiple 
> definition of `main'
>
> /projects/global/toss4/compilers/intel/intel_2021/oneapi/compiler/2021.3.0/linux/bin/intel64/../../compiler/lib/intel64_lin/for_main.o:for_main.c:(.text+0x0): 
> first defined here
>
> /projects/global/toss4/compilers/intel/intel_2021/oneapi/compiler/2021.3.0/linux/bin/intel64/../../compiler/lib/intel64_lin/for_main.o: 
> In function `main':
>
> for_main.c:(.text+0x2e): undefined reference to `MAIN__'
>
> make[2]: *** [examples/CMakeFiles/dbcsr_example_3_cpp.dir/build.make:109: 
> examples/dbcsr_example_3_cpp] Error 1
>
> make[1]: *** [CMakeFiles/Makefile2:1638: 
> examples/CMakeFiles/dbcsr_example_3_cpp.dir/all] Error 2
>
> make: *** [Makefile:146: all] Error 2
>
>
>
> I do not know how to sort this out. 
>
>
> Please let me know what more information you want to know about the cp2k 
> installation.
>
>
> Thank You
>
> Bharat
>
>
>
>
> On Friday, August 23, 2024 at 2:14:13 AM UTC-6 Johann Pototschnig wrote:
>
>> Hi Bharart,
>>
>> This is an error related to the *dbcsr *module.
>>
>> Some additional information about your installation would be useful:
>>
>> - Which version of CP2K are you trying to install?
>> -What is the version of OpenMPI?
>>
>> You can also try to installing DBCSR(https://github.com/cp2k/dbcsr) 
>> separately and provide the path via --with-dbcsr=/path/ 
>>
>>
>> On Thursday, August 22, 2024 at 9:53:26 PM UTC+2 bharat poudel wrote:
>>
>>>
>>> Here is more info:
>>>
>>> /usr/bin/env python3 
>>> /qscratch/bpoudel/apps/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n 
>>> --line-marker-format=gfortran5 
>>> /qscratch/bpoudel/apps/cp2k/exts/dbcsr/src/base/dbcsr_machine.F 
>>> dbcsr_machine.F90
>>>
>>> /usr/bin/env python3 
>>> /qscratch/bpoudel/apps/cp2k/exts/dbcsr/tools/build_utils/fypp/bin/fypp -n 
>>> --line-marker-format=gfortran5 
>>> /qscratch/bpoudel/apps/cp2k/exts/dbcsr/src/base/dbcsr_machine.F 
>>> dbcsr_machine.F90
>>>
>>> /qscratch/bpoudel/apps/cp2k/tools/toolchain/install/openmpi-5.0.5/bin/mpifort 
>>> -c -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native  -O1   
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/openmpi-5.0.5/include'  
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/openblas-0.3.28/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/fftw-3.3.10/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libxc-6.2.2/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libgrpp-main-20231225/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libxsmm-1.17/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/COSMA-2.6.6/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/scotch-6.0.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/pexsi-1.2.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/gsl-2.7/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libdeepmd_c-2.2.7/include' 
>>> -I/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/hdf5-1.14.2/include 
>>> -I/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include 
>>> -I/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/spglib-2.3.1/include 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/SpFFT-1.1.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/SpLA-1.6.1/include/spla' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/dftd4-3.6.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/dftd4-3.6.0/include/dftd4/GNU-14.1.0' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/dftd4-3.6.0/include/mctc-lib/GNU-14.1.0' 
>>> -fbacktrace -ffree-form -fimplicit-none -std=f2008 -fsanitize=leak 
>>> -fcheck=all,no-array-temps -ffpe-trap=invalid,zero,overflow -finit-derived 
>>> -finit-real=snan -finit-integer=-42 -Werror=realloc-lhs 
>>> -finline-matmul-limit=0 -Werror=aliasing -Werror=ampersand 
>>> -Werror=c-binding-type -Werror=intrinsic-shadow -Werror=intrinsics-std 
>>> -Werror=line-truncation -Werror=tabs -Werror=target-lifetime 
>>> -Werror=underflow -Werror=unused-but-set-variable -Werror=unused-variable 
>>> -Werror=unused-dummy-argument -Werror=unused-parameter -Werror=unused-label 
>>> -Werror=conversion -Werror=zerotrip -Wno-maybe-uninitialized 
>>> -Wuninitialized -Wuse-without-only  -D__LIBXSMM  -D__parallel -D__MPI_F08 
>>> -D__FFTW3  -D__LIBINT -D__LIBXC -D__LIBGRPP -D__parallel -D__COSMA 
>>> -D__LIBPEXSI -D__GSL -D__PLUMED2 -D__DEEPMD -D__HDF5 -D__LIBVDWXC 
>>> -D__SPGLIB -D__LIBVORI -D__LIBTORCH -D__SPFFT    -D__SPLA -D__DFTD4 
>>> -D__HAS_IEEE_EXCEPTIONS -D__CHECK_DIAG  -fallow-argument-mismatch 
>>> -D__SHORT_FILE__="\"dbcsr_machine.F\"" 
>>> -I'/qscratch/bpoudel/apps/cp2k/exts/dbcsr/src/base/' 
>>> -I'/qscratch/bpoudel/apps/cp2k/exts/dbcsr/src' dbcsr_machine.F90 
>>>
>>> /qscratch/bpoudel/apps/cp2k/tools/toolchain/install/openmpi-5.0.5/bin/mpifort 
>>> -c -fno-omit-frame-pointer -fopenmp -g -march=native -mtune=native  -O3 
>>> -funroll-loops   
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/openmpi-5.0.5/include'  
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/openblas-0.3.28/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/fftw-3.3.10/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libint-v2.6.0-cp2k-lmax-5/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libxc-6.2.2/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libgrpp-main-20231225/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libxsmm-1.17/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/COSMA-2.6.6/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/scotch-6.0.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/superlu_dist-6.1.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/pexsi-1.2.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/gsl-2.7/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libdeepmd_c-2.2.7/include' 
>>> -I/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/hdf5-1.14.2/include 
>>> -I/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/libvdwxc-0.4.0/include 
>>> -I/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/spglib-2.3.1/include 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/SpFFT-1.1.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/SpLA-1.6.1/include/spla' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/dftd4-3.6.0/include' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/dftd4-3.6.0/include/dftd4/GNU-14.1.0' 
>>> -I'/qscratch/bpoudel/apps/cp2k/tools/toolchain/install/dftd4-3.6.0/include/mctc-lib/GNU-14.1.0' 
>>> -fbacktrace -ffree-form -fimplicit-none -std=f2008  -Werror=aliasing 
>>> -Werror=ampersand -Werror=c-binding-type -Werror=intrinsic-shadow 
>>> -Werror=intrinsics-std -Werror=line-truncation -Werror=tabs 
>>> -Werror=target-lifetime -Werror=underflow -Werror=unused-but-set-variable 
>>> -Werror=unused-variable -Werror=unused-dummy-argument 
>>> -Werror=unused-parameter -Werror=unused-label -Werror=conversion 
>>> -Werror=zerotrip -Wno-maybe-uninitialized -Wuninitialized 
>>> -Wuse-without-only  -D__LIBXSMM  -D__parallel -D__MPI_F08 -D__FFTW3  
>>> -D__LIBINT -D__LIBXC -D__LIBGRPP -D__parallel -D__COSMA -D__LIBPEXSI 
>>> -D__GSL -D__PLUMED2 -D__DEEPMD -D__HDF5 -D__LIBVDWXC -D__SPGLIB -D__LIBVORI 
>>> -D__LIBTORCH -D__SPFFT    -D__SPLA -D__DFTD4   -fallow-argument-mismatch 
>>> -D__SHORT_FILE__="\"dbcsr_machine.F\"" 
>>> -I'/qscratch/bpoudel/apps/cp2k/exts/dbcsr/src/base/' 
>>> -I'/qscratch/bpoudel/apps/cp2k/exts/dbcsr/src' dbcsr_machine.F90 
>>>
>>>
>>> my gcc version is 14.1.0
>>> On Thursday, August 22, 2024 at 1:44:42 PM UTC-6 bharat poudel wrote:
>>>
>>>> Hi There
>>>>
>>>> I encountered this error while installing CP2K.
>>>>
>>>> *f951:* *Fatal Error:* Reading module ‘*dbcsr_kinds.mod*’ at line 1 
>>>> column 2: Unexpected EOF
>>>>
>>>> compilation terminated.
>>>>
>>>> make[4]: *** 
>>>> [/qscratch/bpoudel/apps/cp2k/exts/build_dbcsr//Makefile:266: 
>>>> dbcsr_machine.o] Error 1
>>>>
>>>> make[3]: *** 
>>>> [/qscratch/bpoudel/apps/cp2k/exts/build_dbcsr/Makefile:187: libdbcsr] Error 
>>>> 2
>>>>
>>>> make[2]: *** [/qscratch/bpoudel/apps/cp2k/exts/Makefile.inc:38: dbcsr] 
>>>> Error 2
>>>>
>>>> make[2]: *** Waiting for unfinished jobs....
>>>>
>>>> *f951:* *Fatal Error:* Reading module ‘*dbcsr_kinds.mod*’ at line 1 
>>>> column 2: Unexpected EOF
>>>>
>>>> compilation terminated.
>>>>
>>>>
>>>> It looks like this one is related to fortran. I am installing it on the 
>>>> cluster with openmpi and plumed.
>>>>
>>>>
>>>> Really looking forward for the help.
>>>>
>>>>
>>>> Bharat
>>>>
>>>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/0d383101-eed4-4a88-96b9-7603bab0af7an%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240823/0722583e/attachment-0001.htm>
Previous message (by thread): [CP2K-user] [CP2K:20611] Re: CP2k Installation Error
Next message (by thread): [CP2K-user] [CP2K:20616] Re: CP2k Installation Error
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]
More information about the CP2K-user mailing list