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Diffusion lammps 162222a62cb7

Merge pull request #1 from lammps/lammps-icms
162222a62cb7
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Authored by Julien Devémy <julien.devemy@univ-bpclermont.fr> on Mar 11 2016, 15:22.

Description

Merge pull request #1 from lammps/lammps-icms

Resync with upstream

Details

Committed
Julien Devémy <julien.devemy@univ-bpclermont.fr>Mar 11 2016, 15:22
Pushed
jungeOct 6 2016, 16:49
Parents
rLAMMPSe58b10fa8121: fix bug in lj/charmm/coul/charmm reported on lammps-users
rLAMMPSc763fc92fe1c: Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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Julien Devémy <julien.devemy@univ-bpclermont.fr> committed rLAMMPS162222a62cb7: Merge pull request #1 from lammps/lammps-icms (authored by Julien Devémy <julien.devemy@univ-bpclermont.fr>).Mar 11 2016, 15:22

Merged Changes

This commit merges a very large number of changes. Only the first 50 are shown.
CommitAuthorDetailsCommitted
e58b10fa8121Axel Kohlmeyer
fix bug in lj/charmm/coul/charmm reported on lammps-users 
Mar 11 2016
32123d875f8eAxel Kohlmeyer
forgot file with dependencies 
Mar 11 2016
e14762f7a19fAxel Kohlmeyer
provide explicit dependencies in lib/meam for parallel make 
Mar 11 2016
89811fe1e0b8Axel Kohlmeyer
parallel make tries to run tests in paralle, too. not good. 
Mar 11 2016
b0ffa46a3bb9Axel Kohlmeyer
adapt personal makefiles to the new location of fastdep 
Mar 11 2016
bce9b641f44eAxel Kohlmeyer
remove duplicate copy of fastdep tool. 
Mar 11 2016
1cf0e40793dbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 11 2016
93af809806c0Axel Kohlmeyer
reduce 4 MPI tasks to 2 to for docker based TravisCI. try to use parallel make. 
Mar 11 2016
575daec08f11Axel Kohlmeyer
try to disable MPI processor affinity in order to speed up running on… 
Mar 11 2016
e45ca540e0b7Axel Kohlmeyer
try different strategy to avoid unexpected deadlocks with MPI+OpenMP when… 
Mar 11 2016
dd738827fab3Axel Kohlmeyer
fix parallel deadlock bug in dvd and xtc dumps with > 2^31 timesteps reported… 
Mar 11 2016
a946de0b0395sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14738 f3b2605a-c512-4ea7… 
Mar 10 2016
7c9022e3d5c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14737 f3b2605a-c512-4ea7… 
Mar 10 2016
f5ceb5b292fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14736 f3b2605a-c512-4ea7… 
Mar 10 2016
109b9bab2811sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14735 f3b2605a-c512-4ea7… 
Mar 10 2016
f620bcc4f97fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14734 f3b2605a-c512-4ea7… 
Mar 10 2016
c954b454bac9Axel Kohlmeyer
disable another test that fails with 4xMPI+1xOpenMP 
Mar 10 2016
047c55383accsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14732 f3b2605a-c512-4ea7… 
Mar 10 2016
b3890e80cb0asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14731 f3b2605a-c512-4ea7… 
Mar 10 2016
8412d4a96cd9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14730 f3b2605a-c512-4ea7… 
Mar 10 2016
52f20bbbd510sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14729 f3b2605a-c512-4ea7… 
Mar 10 2016
247bf33d63c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14728 f3b2605a-c512-4ea7… 
Mar 10 2016
859f0698ea68Axel Kohlmeyer
Merge branch 'merge-pull-36' into lammps-icms 
Mar 10 2016
faa4aff1ed48Axel Kohlmeyer
Merge branch 'travis' of https://github.com/junghans/lammps into merge-pull-36 
Mar 10 2016
874bd68cd12fAxel Kohlmeyer
disable test to avoid errors in TravisCI with docker based testing 
Mar 10 2016
b92e2cc67737Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Mar 10 2016
d6c403190236Axel Kohlmeyer
update global git ignore patterns 
Mar 10 2016
169a02118da8Axel Kohlmeyer
simplify .gitignore for packages with suffixes. 
Mar 10 2016
692636957cfeChristoph Junghans
.travis.yml: move to container-based intrastructure 
Mar 9 2016
24723b2e1c5fAxel Kohlmeyer
cleaner form of handling nlocal=0 when checking for NaN coordinates 
Mar 9 2016
fc2b793f1370Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 9 2016
33d4321c4659Axel Kohlmeyer
update to colvars library as of 2016-03-08 
Mar 9 2016
128f28b2cc1bAxel Kohlmeyer
add support for CUDA_DIR 
Mar 9 2016
791f18b03db1athomps
Corrected error in Liouville factorization 
Mar 8 2016
c2f76aa16aa5Axel Kohlmeyer
small update to USER-MANIFOLD documentation 
Mar 8 2016
978d5786ce4cAxel Kohlmeyer
Merge branch 'merge-pull-35' into lammps-icms 
Mar 8 2016
2762a07efdb4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 8 2016
ec96d05bc174Axel Kohlmeyer
remove bogus include and fix path separator bug 
Mar 8 2016
c0289662f525Axel Kohlmeyer
adapt fastdep compatible makefiles to new version 
Mar 8 2016
f5d7fdd19a73Axel Kohlmeyer
rewrite fastdep in C, some optimizations added and windows compatibility(?) 
Mar 8 2016
ee1805538c77sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14726 f3b2605a-c512-4ea7… 
Mar 7 2016
f4ac444db294sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14725 f3b2605a-c512-4ea7… 
Mar 7 2016
0e5c36676f1dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14724 f3b2605a-c512-4ea7… 
Mar 7 2016
98633cfa6ac2Axel Kohlmeyer
one more makefile to be converted to fastdep for use with rpm builds 
Mar 6 2016
8b57a67a35e5Axel Kohlmeyer
convert more makefiles to using fastdep. some cleanups. 
Mar 6 2016
a3989db1f4dcAxel Kohlmeyer
enable using fastdep 
Mar 6 2016
116403443ad2Axel Kohlmeyer
remove customization no longer needed when using fastdep 
Mar 6 2016
749ac0560f7eAxel Kohlmeyer
use the new fastdep tool for dependencies 
Mar 6 2016
581aec69a74fAxel Kohlmeyer
Merge branch 'lammps-icms' into merge-pull-35 
Mar 5 2016
631c124828cdAxel Kohlmeyer
make logic of code more obvious 
Mar 5 2016

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