Hello Everyone,
I have been trying to patch PLUMED-2.9.3 with amber24. For that I made
these changes in my *run_cmake* file:
# Assume this is Linux:
cmake $AMBER_PREFIX/amber24_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
-DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE \
-DFORCE_INTERNAL_LIBS=arpack \
-DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=FALSE -DTRUST_SYSTEM_LIBS=TRUE \
-DPLUMED_LIBRARY=/home/23cy91f06/plumed-2.9.3/lib/libplumed.so \
-DPLUMED_KERNEL_LIBRARY=/home/23cy91f06/plumed-2.9.3/lib/libplumedKernel.so
\
-DPLUMED_INCLUDES=/home/23cy91f06/plumed-2.9.3/include \
-DPLUMED_WORKS=/home/23cy91f06/plumed-2.9.3 \
2>&1 | tee cmake.log
I have serial compilation after these changes but with cuda compilation it
is showing error like this, which I am unable to understand:
[ 96%] Linking CXX static library libpmemd_cuda_SPFP.a
[ 96%] Built target pmemd_cuda_SPFP
Scanning dependencies of target pmemd.cuda_SPFP
[ 96%] Linking Fortran executable pmemd.cuda_SPFP
/usr/bin/ld: cannot find -lplumed
collect2: error: ld returned 1 exit status
make[2]: *** [src/pmemd/src/pmemd.cuda_SPFP] Error 1
make[1]: *** [src/pmemd/src/CMakeFiles/pmemd.cuda_SPFP.dir/all] Error 2
make: *** [all] Error 2
during installation of plumed as well as compilation I used these modules:
1) compiler/cmake/3.15.4 3) compiler/openmpi/cuda/4.1.4
2) compiler/cuda/11.7 4) compiler/gcc/10.2.0
Your suggestions will be very helpful.
Thanking You
Kriti Shukla
Research Scholar
Department of Chemistry
Indian Institute of Technology, Kharagpur
India. 721302
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Received on Tue Feb 25 2025 - 22:30:03 PST
