*Dear Users,*
*I have installed the amber 22 mpi version with openmpi. My run cmake file
is like this*.
Assume this is Linux:
cmake $AMBER_PREFIX/amber22_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
-DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE \
-DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=FALSE -DBUILD_GUI=FALSE \
2>&1 | tee cmake.log
*After testing it shows the following results.*
make[2]: Leaving directory '/home/st/Downloads/amber22/test'
159 file comparisons passed
2 file comparisons failed (1 of which can be ignored)
0 tests experienced an error
Test log file saved as
/home/st/Downloads/amber22/logs/test_amber_parallel/2023-01-07_19-47-13.log
Test diffs file saved as
/home/st/Downloads/amber22/logs/test_amber_parallel/2023-01-07_19-47-13.diff
make[1]: *** [Makefile:18: test.parallel] Error 1
make[1]: Leaving directory '/home/st/Downloads/amber22/test'
Summary of AmberTools parallel tests:
1187 file comparisons passed
2 file comparisons failed (0 of which can be ignored)
1 tests experienced errors
Test log file saved as
/home/st/Downloads/amber22///logs/test_at_parallel/2023-01-07_19-08-36.log
Test diffs file saved as
/home/st/Downloads/amber22///logs/test_at_parallel/2023-01-07_19-08-36.diff
*The respective files are attached below.*
*Thanking You*
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Sat Jan 07 2023 - 07:00:02 PST
