Firefly and PC GAMESS-related discussion club

 
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GrEv
grevgen13@gmail.com

To run Firefly in parallel you need libraries of IntelMPI which are located in "lib"
directory, which itself is a subdirectory of the IntelMPI package.
You should afford Firefly the (full) path to those libraries. For that
use either export or setenv depending on your shell environment:

export LD_LIBRARY_PATH=here-put-the-path-to-the-libraries:$LD_LIBRARY_PATH

or with setenv

setenv LD_LIBRARY_PATH    here-put-the-path-to-the-libraries

*Be aware that you IntelMPI libraries are compiled in 32 bit!


Best regards,
Evgeniy

On Fri Sep 8 '17 1:51am, olgerdovich wrote
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>Dear colleagues,

>I apologize for a newbee-style question, but I was not able to find an answer in a reasonable way, so I ask you.

>Prof. Granovsky recommends using IntelMPI or (as far as I remeber) LAM-MPI and not OpenMPI (which is "buggy and has serious flaws by design"), with precaution that old, 32-bit, version should be used ( http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C30a000202by4-9795-569+00.htmhttp://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C30a000202by4-9795-569+00.htm ).

>However, I couldn't find an instruction what should I do (after downloading of the proper version of ItelMPI, 4.1 rev. 3) to run Firefly under Linux (mint 18.2 in my case) in parallel with this tool.

>There are instructions for MPICH ( http://classic.chem.msu.su/gran/gamess/linux_mpich.htmlhttp://classic.chem.msu.su/gran/gamess/linux_mpich.html ), for LAM/MPI ( http://classic.chem.msu.su/gran/gamess/linux_lam.htmlhttp://classic.chem.msu.su/gran/gamess/linux_lam.html ) and general list of Linux MPI_impementations ( http://classic.chem.msu.su/gran/gamess/linux-mpis.htmlhttp://classic.chem.msu.su/gran/gamess/linux-mpis.html ), but nothing special about IntelMPI.

>Previously I used Firefly on Windows-based machines and only recently switch to linux-based one. I'm not very familiar with area of MPI except some very general considerations.
>So I will be grateful for any instruction or link on somewhat of that kind related to the post theme. How should I make Firefly be aware of the presence of IntelMPI tool and run with it?