[gmx-users] Re:Re-installation(4.5.3) mdrun crashes?

[lloyd riggs]

Dear All, (this is a repost as I included no subjectline)

I have the following error, for both mpi and normal mdrun modes.  I tried both using a pull group for the first time, but when the error persisted, went back and used data/md.mdp files which I know work as a test and get the same errors.

> >
> > [anode27:16555] *** Process received signal ***
> > [anode27:16555] Signal: Segmentation fault (11)
> > [anode27:16555] Signal code: Address not mapped (1)
> > [anode27:16555] Failing at address: 0x2b56a416a530
> > [anode27:16555] [ 0] /lib/libpthread.so.0(+0xf010) [0x2b5687981010]
> > [anode27:16555] [ 1]
> /home/ubelix/l_insel_ria/l_watkins/lib/libgmx_mpi_d.so.6(+0x20303c) [0x2b56867d603c]
> > [anode27:16555] *** End of error message ***

and then a complete core dump.

If I run an em , it runs, but does not do anything (start=finish).

I had installed the newest version 4.5.3 a few weeks back, and just realized something has gone wrong, as I used em's to test quickly, but only looked to see if it gave the output files (I mean they were the correct sizes as it runs 50-100 iterations with nothing in any field, such as pressure, energy, etc...and then says converged).

Does anyone know how to fix this?

Sincerely

Stephan Watkins

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