Please anyone response.
On Mon, 28 Oct 2024, 7:34 pm Dulal Mondal, <
babunmondal.chem.kgpian.iitkgp.ac.in> wrote:
> 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.*
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 29 2024 - 11:00:02 PDT
