Hi,
Sorry to post again so soon and for a rather simple problem. I have a
similar mdrun crash as Michel, here
http://www.gromacs.org/pipermail/gmx-users/2007-November/030491.html but
I could not understand David's solution... There was also no related
email on the list more recent than Michel's and David's. Lines 160-169
of src/mdlib/rf_util.c are as follows, how do I fit in the replacement
that David suggested?
Thanks!
Cheers,
Soo Mei
}
if (bFirst) {
gmx_sumi(1,&bSumForces,cr);
bFirst = FALSE;
}
if (bSumForces) {
/* This is necessary if molecules are split over processors. Should
be optimized! */
gmx_sum(nsb->natoms*DIM,fr->f_el_recip[0],cr);
}
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