GROMACS

Created an attachment (id=513)
broken gbsa tpr

I built both MSVC and ICC windows builds. When GMX_ACCELERATION = SSE (the default), mdrun.exe crashes. I rebuilt with GMX_ACCELERATION = None, and things run fine. x86-64-ASM was enabled for all builds. Is GMX_ACCELERATION=SSE a problem with 64 bit builds?

I tried both PME and GBSA simulations.

Any ideas? I've attached a broken TPR (gbsa). Also, here is tail of my md.log

At this point, it's also possible I'm doing something wrong on my end, as this is the first time I've successfully compiled a windows 64 bit gromacs.

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Testing x86_64 SSE support... present.

Removing pbc first time

+++ PLEASE READ AND CITE THE FOLLOWING REFERENCE +++
J. P. Ryckaert and G. Ciccotti and H. J. C. Berendsen
Numerical Integration of the Cartesian Equations of Motion of a System with
Constraints; Molecular Dynamics of n-Alkanes
J. Comp. Phys. 23 (1977) pp. 327-341
-------- -------- --- Thank You --- -------- --------

+++ PLEASE READ AND CITE THE FOLLOWING REFERENCE +++
S. Miyamoto and P. A. Kollman
SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid
Water Models
J. Comp. Chem. 13 (1992) pp. 952-962
-------- -------- --- Thank You --- -------- --------