Re: FATAL ERROR: Due to a design error, GlobalMasterServer does not support individual atom requests from multiple global force clients on parallel runs.

From: dhacademic (dhacademic_at_gmail.com)
Date: Mon Sep 06 2010 - 17:26:29 CDT

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Reply: Giacomo Fiorin: "Re: FATAL ERROR: Due to a design error, GlobalMasterServer does not support individual atom requests from multiple global force clients on parallel runs."
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Hi Jerome and Giacomo,

I have tried the following syntax (in colvars.conf file) according to the
reply:
        atoms {
                psfSegID A A B B C C D D
                atomNameResidueRange CA 386-485
                atomNameResidueRange CA 628-763
        }
And I still meet a similar output shown as follow. This time 236 atoms on
segment A can be selected. However, the rest atoms on segment B, C, D are
still ignored. It looks like that this atom definition error comes from to
the bug of the version 2.7b1.

#### my output file ####
...
colvars: Initializing atom group "atoms".
colvars: Warning: found more than one instance of "psfSegID".
colvars: Atom group "atoms" defined, 236 atoms, total mass = 2834.6--001485f20c549399c3048f9ec526--

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