NAMD 2.10 Building from Source

From: Kumar, Amit (ahkumar_at_mail.smu.edu)
Date: Thu Jul 09 2015 - 15:28:07 CDT

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Hello!!

I am trying to build NAMD 2.10 from source, so that I can use a much tightly integrated MPI with our SLURM scheduler.

All goes well during compilation. But when I run ./namd2 example/example.namd nothing happenes and no output. The command returns to prompt immediately.

I have followed all steps in building charm++ library for MPI version. Also have prebuilt fftw and tcl from http://www.ks.uiuc.edu/Research/namd/libraries
in the source directory as required(fftw, and tcl & tcl-threaded)

edited Make.charm with CHARMBASE path then ran a config and make to finish compilation. And worked fine but namd2 executable does not thing.

I am sure I am missing something obvious but can't get my head around.

Thank you,
Amit

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