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Patrick Welche

  • Registered on: 05/31/2016
  • Last connection: 09/21/2018

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09/21/2018

06:19 PM GROMACS Bug #1977: warning: __WORDSIZE not defined
(I seem to be making mistakes these days so check...)
I just compiled 2018.3 successfully on the same (as in, 2 ye...

06/02/2016

01:18 PM GROMACS Bug #1978 (Resolved): IMD include files not always sufficient
Applied in changeset commit:a8ddf04fae334502a4d9e248ac5aff0f346b3122.
01:08 PM GROMACS Revision a8ddf04f: Ensure IMD include dependencies work
Makes sure select() and the necessary struct types are declared.
Fixes #1978
Change-Id: I3f7e545c95f26b5cf0398ed14e...

06/01/2016

06:05 PM GROMACS Bug #1980: warning: "_POSIX_THREAD_CPUTIME" is not defined
I didn't check your HAVE_CLOCK_GETTIME test - are you saying that HAVE_CLOCK_GETTIME can be defined even when clock_g...

05/31/2016

04:28 PM GROMACS Bug #1941: mdrun with conjugate gradient core dump on system with high load
First guess: has this to do with memory being overcommitted?
See
https://www.kernel.org/doc/Documentation/vm/ov...
04:21 PM GROMACS Bug #1980 (Closed): warning: "_POSIX_THREAD_CPUTIME" is not defined
/usr/src/local/gromacs/src/gromacs/timing/walltime_accounting.cpp:232:27: warning: "_POSIX_THREAD_CPUTIME" is not def...
03:51 PM GROMACS Bug #1979: ../../lib/libgromacs.so.3.0.0: undefined reference to `vmddlclose'
Your patch does fix it for me thanks!
[100%] Linking CXX executable ../../bin/template
[100%] Built target templa...
01:51 PM GROMACS Bug #1979 (Closed): ../../lib/libgromacs.so.3.0.0: undefined reference to `vmddlclose'
...
01:33 PM GROMACS Bug #1978 (Closed): IMD include files not always sufficient
/usr/src/local/gromacs/src/gromacs/imd/imdsocket.cpp:373:66: error: 'select' was not declared in this scope
...
01:09 PM GROMACS Bug #1977: warning: __WORDSIZE not defined
Note change in logic || -> &&. Check this is what was actually meant...
Trivial portability fix attached.

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