Dear Experts,
My plumed is in the folder
which plumed
/home/apps/spack/opt/spack/linux-centos7-skylake_avx512/gcc-13.1.0/plumed-2.9.0-4bvol7vmei2vae3easwwgpqkr3hjm5xf/bin/plumed
I use supercomputer. So I have no root access.
My run_cmake file is like below.
Assume this is Linux:
cmake $AMBER_PREFIX/amber24_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
-DCOMPILER=GNU \
-DMPI=FALSE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=FALSE \
2>&1 | tee cmake.log
I activate plumed using the following command.
source /home/apps/spack/share/spack/setup-env.sh
spack load plumed.2.9.0 /4bvol7v
How do I patch plumed?
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Mon Oct 28 2024 - 07:30:03 PDT
