Re: [AMBER] Compiling error of Amber24 on Linux

From: Jiang, Wei via AMBER <amber.ambermd.org>
Date: Thu, 12 Dec 2024 21:57:05 +0000

Thanks! But I still get the same error "Determining if the Perl module Chemistry::Mol exists failed with the following error output:
Can't locate Chemistry/Mol.pm in .INC (you may need to install the Chemistry::Mol module)".

This is my modified run_cmake

  cmake $AMBER_PREFIX/amber24_src \
    -DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
    -DCOMPILER=GNU \
    -DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
    -DFORCE_DISABLE_LIBS=perlmol -DDOWNLOAD_MINICONDA=TRUE \
    2>&1 | tee cmake.log

Thanks!


Wei Jiang, PhD, Computational Science Division
Argonne National Laboratory
9700S, Cass Ave, Lemont, IL60439
630-252-8688<callto:630-252-8688> (office)
630-252-7121<callto:630-252-7121> (fax)
________________________________
From: Masoud Keramati <keramati.m.northeastern.edu>
Sent: Thursday, December 12, 2024 3:05 PM
To: Jiang, Wei <wjiang.alcf.anl.gov>; AMBER Mailing List <amber.ambermd.org>
Subject: Re: Compiling error of Amber24 on Linux

Hi, Add "-DFORCE_DISABLE_LIBS=perlmol" to your cmake command. Best, Masoud From: Jiang, Wei via AMBER <amber@ ambermd. org> Sent: Thursday, December 12, 2024 15: 10 To: amber@ ambermd. org <amber@ ambermd. org> Subject: [AMBER]
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Hi,

Add "-DFORCE_DISABLE_LIBS=perlmol" to your cmake command.


Best,

Masoud

________________________________
From: Jiang, Wei via AMBER <amber.ambermd.org>
Sent: Thursday, December 12, 2024 15:10
To: amber.ambermd.org <amber.ambermd.org>
Subject: [AMBER] Compiling error of Amber24 on Linux

Hi, I tried to build Amber24 on a large Linux cluster but was running issues with missing PerlMol (perl chemistry) module. The system software administrator confirmed that this module can not be provided as it is not available for SUSE linux as a RPM (Red Hat Package Manager). However, manually installing this module appears convoluted due to complex Perl module dependencies/permissions, and has never passed yet. Can anybody advise how to fix/avoid this issue to build Amber24?

Thanks!


Wei
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Received on Thu Dec 12 2024 - 14:00:02 PST