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Bug #272

Minor fixes to src/mdlib/pme.c

Added by Mark Abraham almost 11 years ago. Updated almost 11 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Erik Lindahl
Category:
mdrun
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

gmx_pme_destroy and pr_gr_dist are never called, but they should have a test that log and fp (respectively) are valid FILE pointers.

The "magic optimization pragma" of Puetz is not well-formed. The test for a suitable compiler should read

#if ((defined IBMC || defined IBMCPP) && defined _IBMSMP)
/* Magic optimization pragma proposed by Mathias Puetz */
#pragma ibm independent_loop
#endif

though I imagine in the real world, only _IBMSMP will need to be tested. See http://publib.boulder.ibm.com/infocenter/comphelp/v7v91/topic/com.ibm.vacpp7a.doc/compiler/ref/ruprpdir.htm#ruprpdir. Basically, the inner pragma is only meaningful if -qsmp is supplied on the command line, which #defines _IBMSMP.

It seems I also reported this a month ago http://bugzilla.gromacs.org/show_bug.cgi?id=254 :-)

History

#1 Updated by Erik Lindahl almost 11 years ago

Fixed, including the one we missed in the other bug (sorry) - reopen if something still isn't OK!

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