[gmx-users] gmx_sumi src/mdlib/rf_util.c fix

Low Soo Mei lowsm at bii.a-star.edu.sg
Tue Apr 29 11:03:40 CEST 2008


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? 


Soo Mei

  if (bFirst) {
    bFirst = FALSE;
  if (bSumForces) {
    /* This is necessary if molecules are split over processors. Should
       be optimized! */

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