Add checks for inefficient resource usage
[alexxy/gromacs.git] / src / programs / mdrun / mdrun.cpp
2015-06-30 Berk HessAdd checks for inefficient resource usage
2015-06-29 Mark AbrahamMerge branch release-5-0
2015-06-29 Mark AbrahamMerge release-4-6 into release-5-0
2015-06-27 Mark AbrahamMerge release-5-0 into master
2015-06-26 Mark AbrahamMerge release-4-6 into release-5-0
2015-06-25 Mark AbrahamMerge "Merge release-5-0 into master"
2015-06-25 Mark AbrahamMerge release-5-0 into master
2015-06-24 Mark AbrahamMerge release-4-6 into release-5-0
2015-06-20 Erik LindahlHandle multidir/multisim with single argument correctly
2015-06-16 Erik LindahlAdd membrane embedding docs
2015-06-16 Mark AbrahamMove code for managing mdrun -cpi and -append
2015-06-13 Berk HessHardware reporting now covers all nodes
2015-06-11 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into...
2015-06-09 Mark AbrahamMerge branch release-4-6 into release-5-0
2015-06-05 Roland SchulzMerge release-5-0 into master
2015-06-04 Mark AbrahamFix naming from "Gromacs" to "GROMACS"
2015-05-22 Teemu MurtolaMerge release-5-0 into master
2015-05-17 Mark AbrahamMerge branch origin/release-5-0
2015-05-14 Szilard PallMerge release-4-6 into release-5-0
2015-05-09 Mark AbrahamMerge branch release-5-0
2015-05-05 Mark AbrahamMerge release-4-6 into release-5-0
2015-04-27 Mark AbrahamClean up remnants in mdrun
2015-04-22 Berk HessMerge branch 'release-5-0'
2015-04-09 Mark AbrahamMerge branch release-5-0
2015-04-08 Mark AbrahamUpdate mdrun Doxygen
2015-03-03 Mark AbrahamRe-implement gmx tune_pme -cpi
2015-02-13 Teemu MurtolaMake (most) HTML links to file formats work again
2015-02-13 Teemu MurtolaReplace tool HTML help with Sphinx-generated docs
2015-02-12 Roland SchulzMerge release-5-0 into master
2015-02-12 Roland SchulzMerge release-4-6 into release-5-0
2015-02-04 Mark AbrahamImplement user guide
2015-02-02 Mark AbrahamMerge branch release-5-0
2015-01-29 Teemu MurtolaAdd input file options that accept missing files
2015-01-17 Teemu MurtolaMerge "Merge branch release-5-0"
2015-01-16 Szilard PallImprove and clarify mdrun behavior with nsteps<0
2015-01-15 Mark AbrahamMerge branch release-5-0
2015-01-09 Mark AbrahamRemove mdrun -testverlet
2014-12-15 Mark AbrahamMerge branch 'release-5-0'
2014-12-11 Mark AbrahamMerge release-4-6 into release-5-0
2014-12-07 Roland SchulzMerge release-5-0 into master
2014-11-27 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-11-26 Christoph JunghansMerge release-5-0 into master
2014-11-26 Roland SchulzMerge release-5-0 into master
2014-10-29 Teemu MurtolaMerge release-5-0 into master
2014-10-13 Mark AbrahamMerge release-4-6 into release-5-0
2014-10-01 Mark AbrahamMerge release-5-0 into master
2014-09-29 Roland SchulzMerge release-4-6 into release-5-0
2014-09-21 Roland SchulzMerge release-5-0 into master
2014-09-18 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-09-17 Roland SchulzMerge release-5-0 into master
2014-09-17 David van der SpoelMerge release-5-0 into master
2014-09-12 Mark AbrahamMinor changes to mdrun -h descriptions
2014-09-11 Teemu MurtolaSort includes outside src/gromacs
2014-09-10 David van der SpoelRemove .tpa, .tpb, .tpx, .trj files. Part of #1500.
2014-09-10 Roland SchulzMerge release-5-0 into master
2014-09-05 Roland SchulzMerge release-5-0 into master
2014-09-03 Roland SchulzMerge release-5-0 into master
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-08-25 Roland SchulzMerge release-5-0 into master
2014-08-20 Teemu MurtolaMerge release-5-0 into master
2014-08-19 Teemu MurtolaIntroduce gmxpre.h for truly global definitions
2014-08-17 Mark AbrahamRemove mdrun -seppot
2014-08-16 Roland SchulzMerge release-5-0 into master
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0
2014-07-31 Roland SchulzMerge release-5-0 into master
2014-07-28 Roland SchulzMerge release-5-0 into master
2014-07-09 Teemu MurtolaMerge release-5-0 into master
2014-07-09 Roland SchulzRemove all unnecessary HAVE_CONFIG_H
2014-07-08 Teemu MurtolaRemove PCA_QUIET
2014-07-08 Teemu MurtolaImprove FileNameOption error handling
2014-07-05 Teemu MurtolaMerge release-5-0 into master
2014-06-30 Teemu MurtolaMerge release-5-0 into master
2014-06-29 Roland SchulzMerge release-4-6 into release-5-0
2014-06-28 Mark AbrahamMerge branch 'release-4-6' into release-5-0
2014-06-28 Mark AbrahamUse parallel terminology more consistently
2014-06-28 Roland SchulzMerge release-5-0 into master
2014-06-27 Roland SchulzMerge release-4-6 into release-5-0
2014-06-26 Roland SchulzMerge release-4-6 into release-5-0
2014-06-19 Roland SchulzMerge release-5-0 into master
2014-06-18 Roland SchulzMerge release-5-0 into master
2014-06-07 David van der SpoelMerge release-5-0 into master
2014-06-06 Mark AbrahamMerge release-4-6 into release-5-0
2014-06-03 Roland SchulzMerge release-5-0 into master
2014-05-27 Roland SchulzMerge release-5-0 into master
2014-05-27 Roland SchulzMerge release-4-6 into release-5-0
2014-05-22 Mark AbrahamClarified docs for use of mdrun -nstlist
2014-05-10 Roland SchulzMerge release-5-0 into master
2014-05-10 Roland SchulzMerge release-4-6 into release-5-0
2014-04-29 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-04-16 Roland SchulzMerge release-5-0 into master
2014-04-10 Mark AbrahamMerge branch 'release-4-6' into release-5-0
2014-04-08 Teemu MurtolaMove gmx_fatal.* to utility/fatalerror.*
2014-03-26 Martin HoeflingInteractive Molecular Dynamics (IMD)
2014-03-23 Mark AbrahamMerge branch release-4-6
2014-03-18 Roland SchulzFix dependencies on config.h for typedefs.h
2014-03-17 Mark AbrahamMerge branch release-4-6
2014-03-03 Roland SchulzMerge release-4-6 into master
2014-02-24 Mark AbrahamClean up options for domain decomposition
2014-02-21 Roland SchulzMerge release-4-6 into master
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