You asked this to the list on Sept 18, and now again.
On Sept 18, you received an answer to the list.
Did you try what the person suggested ?
If so, explain how, what errors did you get, etc.
On 10/29/24 1:44 PM, Dulal Mondal via AMBER wrote:
> [External Email]
>
> 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.*
>>
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--
Dr. Adrian E. Roitberg
Frank E. Harris Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Tue Oct 29 2024 - 14:30:02 PDT
