Re: mail about Charmm++

From: Vermaas, Josh (vermaasj_at_msu.edu)
Date: Sun Jan 30 2022 - 08:59:26 CST

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You don’t need root to be able to do this, unless you untarred with root. I’m a bit confused as to why mpicxx was used to run the ./build script, which is usually executed in bash. What instructions were you following?

-Josh

From: <owner-namd-l_at_ks.uiuc.edu> on behalf of Vidhya Sankar <vidhyasankar7928_at_REMOVE_yahoo.com>
Reply-To: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>, Vidhya Sankar <vidhyasankar7928_at_yahoo.com>
Date: Saturday, January 29, 2022 at 12:12 PM
To: NAMD List <namd-l_at_ks.uiuc.edu>, "charm_at_cs.illinois.edu" <charm_at_cs.illinois.edu>
Subject: namd-l: mail about Charmm++

Dear Namd user

when i built Charmm++ using the following command
 env MPICXX=mpicxx ./build charm++ mpi-linux-x86_64 --with-production

i got error . somebody may help to resolve the issues . I am not root user

gmake: execvp: ../../src/scripts/gatherflat: Permission denied
gmake: *** [dirs+sources] Error 127

thanks in advance
Vidhyasankar

• Next message: Francesco Pietra: "QMMM analysis on downloaded ORCA /0"
• Previous message: Nicholus Bhattacharjee: "Steered molecular dynamics simulations of peptide with non standard amino acid using GAFF parameter"
• In reply to: Vidhya Sankar: "mail about Charmm++"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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