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Bug #409

--enable-fortran gives SR intraction =0 in the gromacs git version

Added by Fabrizio.Marinelli empty over 9 years ago. Updated about 9 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

Hi all, i have found a probable bug in the gromacs git version. I was compiling the latest gromacs git version using the option --enable-fortran during the
configuration, this for the systems i used (even the simple 216 spc box)
and for a generic force field gives SR interactions = 0.
Eliminating the option --enable-fortran everything works and the energies
are the same of gromacs-4.0.5.

Best,
Fabrizio

History

#1 Updated by Erik Lindahl about 9 years ago

FIxed in commit de219890b304bc036f133ccaff9ba377a1d08976 , although it took quite some time :-)

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