[AMBER] amber 22 installation on ubuntu 18

From: Dulal Mondal via AMBER <amber.ambermd.org>
Date: Sat, 7 Jan 2023 20:24:18 +0530

*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
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