Diffusion lammps (lammm-devel) History

lammps/lib
lammm-devel943cc0ac196cd7a9a58e899…

Dec 5 2014

Update ch5md and close properly HDF5 identifiers (except file).
5e63424f304d
·Pierre de Buyl / Pierre de Buyl on Dec 5 2014, 10:47.
Add link argument to h5md_create_box.
ec7fd1327d4b
·Pierre de Buyl / Pierre de Buyl on Dec 5 2014, 10:46.
Add README, LICENSE and 'this file is part of ch5md' notice.
f269e7f50519
·Pierre de Buyl / Pierre de Buyl on Dec 5 2014, 10:46.
use h5cc and add clean target
6ae24fe41f48
·Pierre de Buyl / Pierre de Buyl on Dec 5 2014, 10:46.
move ch5md to lib
095e00995be6
·Pierre de Buyl / Pierre de Buyl on Dec 5 2014, 10:46.

Dec 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12813 f3b2605a-c512-4ea7…
9f649c312326
·sjplimp on Dec 2 2014, 03:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12811 f3b2605a-c512-4ea7…
c4af1cdbbd82
·sjplimp on Dec 2 2014, 03:09.

Nov 21 2014

today's colvars update
d91522507786
·Axel Kohlmeyer on Nov 21 2014, 21:43.
restore temporarily disabled local changes
970b0020d02d
·Axel Kohlmeyer on Nov 21 2014, 18:42.
ATC code cleanup to silence compiler warnings and fix potential bugs
8d47d9dc3965
·Axel Kohlmeyer on Nov 21 2014, 18:42.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
72bf576c1a67
·Axel Kohlmeyer on Nov 21 2014, 16:05.
undo local customiztions to USER-ATC in order to simplify the merge with…
6981237880d9
·Axel Kohlmeyer on Nov 21 2014, 16:04.

Nov 20 2014

ATC version 2.0, date: Nov20
ac5973073fab
·jatempl on Nov 20 2014, 19:59.
import bugfixes from colvars repo. version is now 2014-11-20.
e3b59cb3d2ef
·Axel Kohlmeyer on Nov 20 2014, 18:45.

Nov 19 2014

collected USER-CUDA and KOKKOS updates to address compiler warnings
a88834698ea7
·Axel Kohlmeyer on Nov 19 2014, 20:12.

Nov 14 2014

update the colvars module to the version 2014-11-13
8b4ce4d893fa
·Axel Kohlmeyer on Nov 14 2014, 18:34.

Nov 6 2014

update colvars from git repo to version 2014-11-06
9fd50e4b2d4f
·Axel Kohlmeyer on Nov 6 2014, 22:27.

Nov 3 2014

change OpenCL default back to mixed precision
176facc1fabb
·Axel Kohlmeyer on Nov 3 2014, 21:51.

Nov 1 2014

bugfix/update
1e0d8a1e14aa
·Axel Kohlmeyer on Nov 1 2014, 05:43.

Oct 31 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12677 f3b2605a-c512-4ea7…
52408b16d2a9
·sjplimp on Oct 31 2014, 15:46.
include bugfix from colvars git repo
62c40c86fcef
·Axel Kohlmeyer on Oct 31 2014, 07:08.

Oct 30 2014

support INTEL and PHI targets as default vendor setting
83f6ab465e55
·Axel Kohlmeyer on Oct 30 2014, 23:55.
update OpenCL default settings for Intel OpenCL runtime
5f10cbd4df87
·Axel Kohlmeyer on Oct 30 2014, 23:33.
fix typo in code copying per atom virial data
eac13c4c7180
·Axel Kohlmeyer on Oct 30 2014, 23:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12663 f3b2605a-c512-4ea7…
a79274aac41f
·sjplimp on Oct 30 2014, 16:22.
more colvars library refactoring
46e503e23b64
·Axel Kohlmeyer on Oct 30 2014, 10:19.

Oct 29 2014

remove unused makefile
70c1ea7d8ed4
·Axel Kohlmeyer on Oct 29 2014, 23:43.
update colvars library one more time
4601ba2bce4b
·Axel Kohlmeyer on Oct 29 2014, 21:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12655 f3b2605a-c512-4ea7…
7510ec796096
·sjplimp on Oct 29 2014, 16:47.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
12dcd704610d
·Axel Kohlmeyer on Oct 29 2014, 13:26.
import last night's colvars updates
a9e124db15cb
·Axel Kohlmeyer on Oct 29 2014, 10:40.

Oct 28 2014

another day, another colvars update
5890ef420b64
·Axel Kohlmeyer on Oct 28 2014, 23:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12650 f3b2605a-c512-4ea7…
51a148df161c
·sjplimp on Oct 28 2014, 20:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12649 f3b2605a-c512-4ea7…
7cea65198f78
·sjplimp on Oct 28 2014, 16:21.

Oct 27 2014

another synchronization with colvars git repo
27f5998d9306
·Axel Kohlmeyer on Oct 27 2014, 19:48.
fix remaining prefix issue reported by steven strong
54ae54605ccc
·Axel Kohlmeyer on Oct 27 2014, 19:39.
update colvars library from git repo again
f7d5f002f677
·Axel Kohlmeyer on Oct 27 2014, 07:36.
correct -lcufft location
2f420c1e1602
·Axel Kohlmeyer on Oct 27 2014, 07:29.

Oct 26 2014

fix compilation with cuda 6.5
ad9d4fab61dd
·Axel Kohlmeyer on Oct 26 2014, 18:14.
ignore OpenCL object files in GPU library
468e09012672
·Axel Kohlmeyer on Oct 26 2014, 10:12.
more colvars updates. now prints interface version date,too.
f4718e986164
·Axel Kohlmeyer on Oct 26 2014, 08:16.

Oct 25 2014

add forgotten change from colvars update
4c488e63d5c2
·Axel Kohlmeyer on Oct 25 2014, 17:27.
another colvars update. this time from giacomo
e9cc0d73d0a7
·Axel Kohlmeyer on Oct 25 2014, 15:21.

Oct 24 2014

formatting update for colvars library
0e550d0e275d
·Axel Kohlmeyer on Oct 24 2014, 23:09.
update colvars to the state of 2014-10-24
522aca3c6115
·Axel Kohlmeyer on Oct 24 2014, 18:14.
gpu library updates from trung
2eb98b704b11
·Axel Kohlmeyer on Oct 24 2014, 12:32.

Oct 23 2014

update colvars library to version 2014-10-23
fa7b08639029
·Axel Kohlmeyer on Oct 23 2014, 17:45.

Oct 22 2014

synchronize with the colvars git repo again
c47c1428c211
·Axel Kohlmeyer on Oct 22 2014, 16:38.

Oct 21 2014

update colvars to state of 2014-10-21 with some additional refactoring
2267cc7839a3
·Axel Kohlmeyer on Oct 21 2014, 20:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12640 f3b2605a-c512-4ea7…
20a71b1d23dc
·sjplimp on Oct 21 2014, 18:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12638 f3b2605a-c512-4ea7…
c90746a20c0c
·sjplimp on Oct 21 2014, 18:33.

Oct 16 2014

update colvars library to the state of 16 Oct 2014
ac3359b2d6d3
·Axel Kohlmeyer on Oct 16 2014, 23:46.

Oct 14 2014

update GPU related makefiles/settings for temple desktop
e2b364192b44
·Axel Kohlmeyer on Oct 14 2014, 01:58.
restore temporarily removed geryon update
5d70f4a0d0f9
·Axel Kohlmeyer on Oct 14 2014, 01:08.

Oct 13 2014

do not call MPI_Abort() the GPU library, if MPI is already shut down
ac961d025e9c
·Axel Kohlmeyer on Oct 13 2014, 23:20.
remove additional code from mike brown that was in his bitbucket repo
7235c337d268
·Axel Kohlmeyer on Oct 13 2014, 22:15.

Oct 10 2014

incorporate gpu library bugfixes posted by trung to lammps-users
1d15cb7f8abd
·Axel Kohlmeyer on Oct 10 2014, 00:28.

Oct 9 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a05fa107d8ff
·Axel Kohlmeyer on Oct 9 2014, 19:03.

Oct 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12613 f3b2605a-c512-4ea7…
211c12c39e36
·sjplimp on Oct 7 2014, 22:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12612 f3b2605a-c512-4ea7…
044084847b51
·sjplimp on Oct 7 2014, 22:30.
update dependencies in colvars makefiles
045f593bf64c
·Axel Kohlmeyer on Oct 7 2014, 18:57.
update colvars library to state of oct 10th
13955c8c6c31
·Axel Kohlmeyer on Oct 7 2014, 18:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12596 f3b2605a-c512-4ea7…
69f2390b0685
·sjplimp on Oct 7 2014, 17:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12590 f3b2605a-c512-4ea7…
7c748bb17f8b
·sjplimp on Oct 7 2014, 01:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12588 f3b2605a-c512-4ea7…
621fa7d600d6
·sjplimp on Oct 7 2014, 00:59.

Oct 6 2014

more updates to the colvars library
645cb88b2729
·Axel Kohlmeyer on Oct 6 2014, 17:39.

Oct 2 2014

update colvars module to the latest version from the git repo
5578d988b0f7
·Axel Kohlmeyer on Oct 2 2014, 22:48.

Sep 26 2014

update build scripts for steve's make system updates
838ca5f5d3f2
·Axel Kohlmeyer on Sep 26 2014, 22:01.
add compatibility symlink for rpm build
c6a1747998be
·Axel Kohlmeyer on Sep 26 2014, 21:41.
small updates for GPU library makefiles
c3f3603eb618
·Axel Kohlmeyer on Sep 26 2014, 21:33.

Sep 25 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
190974a167ba
·Axel Kohlmeyer on Sep 25 2014, 17:23.

Sep 23 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12527 f3b2605a-c512-4ea7…
159d82e4730a
·sjplimp on Sep 23 2014, 17:55.

Sep 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12496 f3b2605a-c512-4ea7…
4a95b0047713
·sjplimp on Sep 11 2014, 18:58.

Sep 6 2014

add makefile using clang to AtC for better code review
6483c7344a07
·Axel Kohlmeyer on Sep 6 2014, 16:15.
Merge remote branch 'lammps-ro/master' into lammps-icms
d12eca24b839
·Axel Kohlmeyer on Sep 6 2014, 15:25.

Sep 5 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12404 f3b2605a-c512-4ea7…
68d424d3fc79
·sjplimp on Sep 5 2014, 16:24.
Merge remote branch 'lammps-ro/master' into lammps-icms
4469e4e4070f
·Axel Kohlmeyer on Sep 5 2014, 13:19.

Sep 4 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12403 f3b2605a-c512-4ea7…
451d5c04efab
·sjplimp on Sep 4 2014, 18:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12399 f3b2605a-c512-4ea7…
af4909ab5130
·sjplimp on Sep 4 2014, 17:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12398 f3b2605a-c512-4ea7…
37ab2751d182
·sjplimp on Sep 4 2014, 17:42.

Sep 3 2014

update cross compiling makefiles
ded64a9e0341
·Axel Kohlmeyer on Sep 3 2014, 18:33.

Sep 1 2014

use faster math exp() in meam library code. 10x faster with GNU.
b0ea40412252
·Axel Kohlmeyer on Sep 1 2014, 18:55.

Aug 28 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8277217db6d2
·Axel Kohlmeyer on Aug 28 2014, 20:46.

Aug 27 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12375 f3b2605a-c512-4ea7…
b2740c77d6ba
·sjplimp on Aug 27 2014, 23:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12370 f3b2605a-c512-4ea7…
048a267b9fc9
·sjplimp on Aug 27 2014, 19:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12369 f3b2605a-c512-4ea7…
222d9ee151b6
·sjplimp on Aug 27 2014, 19:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12367 f3b2605a-c512-4ea7…
26fe85211baf
·sjplimp on Aug 27 2014, 18:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12366 f3b2605a-c512-4ea7…
7387b0cc62e4
·sjplimp on Aug 27 2014, 18:20.

Aug 15 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12326 f3b2605a-c512-4ea7…
b69be175f03a
·sjplimp on Aug 15 2014, 01:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12325 f3b2605a-c512-4ea7…
e3824e933216
·sjplimp on Aug 15 2014, 01:29.

Aug 13 2014

update colvars makefiles
e6c421f61d9e
·Axel Kohlmeyer on Aug 13 2014, 21:24.
update colvars module from git repo.
5c41d0ef6283
·Axel Kohlmeyer on Aug 13 2014, 21:16.

Jul 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12169 f3b2605a-c512-4ea7…
b5d89cd7689e
·sjplimp on Jul 2 2014, 22:53.

Jul 1 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
29ae4bd8dc3d
·Axel Kohlmeyer on Jul 1 2014, 18:08.

Jun 27 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12146 f3b2605a-c512-4ea7…
67ae64329e18
·sjplimp on Jun 27 2014, 19:25.

Jun 24 2014

adjust code for different neighbor list handling to support intel ocl
e0d8c669c4bf
·Axel Kohlmeyer on Jun 24 2014, 18:52.
import library part of trung's update to the GPU package with reinit support
4d4647f48711
·Axel Kohlmeyer on Jun 24 2014, 18:32.

Jun 20 2014

Pruned unnecessary libraries
8dddba111213
·athomps on Jun 20 2014, 18:46.

Jun 15 2014

Merge branch 'patch_14_06_2014' into lammps-icms
bcec3c56e45e
·Axel Kohlmeyer on Jun 15 2014, 13:25.
anticipate 14 June 2014 patch
598be75009d2
·Axel Kohlmeyer on Jun 15 2014, 13:19.

lammps/liblammm-devel943cc0ac196cd7a9a58e899…

Dec 5 2014

Dec 2 2014

Nov 21 2014

Nov 20 2014

Nov 19 2014

Nov 14 2014

Nov 6 2014

Nov 3 2014

Nov 1 2014

Oct 31 2014

Oct 30 2014

Oct 29 2014

Oct 28 2014

Oct 27 2014

Oct 26 2014

Oct 25 2014

Oct 24 2014

Oct 23 2014

Oct 22 2014

Oct 21 2014

Oct 16 2014

Oct 14 2014

Oct 13 2014

Oct 10 2014

Oct 9 2014

Oct 7 2014

Oct 6 2014

Oct 2 2014

Sep 26 2014

Sep 25 2014

Sep 23 2014

Sep 11 2014

Sep 6 2014

Sep 5 2014

Sep 4 2014

Sep 3 2014

Sep 1 2014

Aug 28 2014

Aug 27 2014

Aug 15 2014

Aug 13 2014

Jul 2 2014

Jul 1 2014

Jun 27 2014

Jun 24 2014

Jun 20 2014

Jun 15 2014

lammps/lib
lammm-devel943cc0ac196cd7a9a58e899…