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10/19/2018

09:55 PM GROMACS Bug #2704 (Fix uploaded): investigate change to log file
12:49 PM GROMACS Bug #2704: investigate change to log file
This is a bug. Now it prints only the day, which is incorrect. It should either print the day and time (which I think...

10/18/2018

03:28 PM GROMACS Bug #2703 (Fix uploaded): constraint and mass contributions missing from foreign Hamiltonian values
02:59 PM GROMACS Bug #2703 (Fix uploaded): constraint and mass contributions missing from foreign Hamiltonian values
The foreign Hamiltonian values only contain the potential energy terms. The constraint and kinetic energy contributio...
12:20 PM GROMACS Bug #2642: mdrun with SIMD triggers floating point exceptions
Filed #2702 for the orientation restraint test issue.
12:19 PM GROMACS Bug #2702 (New): Suspected OpenCL (nvidia?) PME issue
The complex.orientation restraints failed (at filing) twice on the nvidia opencl build, e.g.:
http://jenkins.gromacs...
12:04 PM GROMACS Bug #2642: mdrun with SIMD triggers floating point exceptions
Looks like this size issue (currently) doesn't affect anything in master. Still should be fixed though.
valgrind c...
10:02 AM GROMACS Bug #2642: mdrun with SIMD triggers floating point exceptions
This might also explain the size issues. if paddedarrayref is used there along the way.
10:00 AM GROMACS Bug #2642: mdrun with SIMD triggers floating point exceptions
I found a bug: do_force gets passed state->x.paddedArrayRef() but uses x.size() for getting the number of atoms. This...
06:14 AM GROMACS Revision 77097d05: Add env.var. to disable update groups
Change-Id: Iba4d9636f2da01fa1bc9e003446621c743fb9114

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