[gmx-users] current CVS version and AFM pull code

[Frauke Meyer]

Dear all,

the 3.1.4 version seems not to allow for using the pull code in
parallel, and just updating 3.1.4 with the new pull code from the cvs
does not result in a version for which pulling works parallel either.
This seems to make it necessary to use the full latest cvs version for
pulling and parallel jobs.

After having installed the latest cvs version, I get the following error
message when starting mdrun (after mdrun has read topol.tpr) no matter
what system setup I use, e.g. tric box with the angles 90 90 90, and also
without pulling:

 Wrote pdb files with previous and current coordinates
 step 0Warning: Only triclinic boxes with the first vector parallel to the
 x-axis and the second vector in the xy-plane are supported.
         Box (3x3):
            Box[    0]={         nan,          nan,          nan}
            Box[    1]={         nan,          nan,          nan}
            Box[    2]={         nan,          nan,          nan}
         Can not fix pbc.
 Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, LINE 210]

However, with the same input the official 3.1.4 works fine.

Does the current development version on cvs not work right now? Has
somebody recently checked the full cvs version? Or would there be another
possibility to make the pull code working in parallel?

Thanks in advance,
Frauke