Commit Graph

17038 Commits

Author SHA1 Message Date
c763916f9e update log files for granregion hugoniostat and indent examples 2018-11-28 21:21:54 -05:00
eda79bd1c2 use shutil.rmtree() instead of calling 'rm -rf' for increased portability 2018-11-28 20:46:50 -05:00
798f098e4a remove USER-OMP version of fix nphug, which had intermittant and difficult to track down memory corruption issues with multiple threads. 2018-11-28 18:57:26 -05:00
3508eca337 make sure all local Tree pointers are initialized, either to a newly allocated Tree() or NULL 2018-11-28 18:49:37 -05:00
9646d4614f plug small memory leak in fix gcmc 2018-11-28 18:45:32 -05:00
48a408bb19 update log files for friction example 2018-11-28 18:42:48 -05:00
a4d21370bf Merge pull request #1229 from invemichele/fix_plumed_memory_leak
fix plumed memory leak
2018-11-28 16:42:16 -05:00
9702899d1c Merge pull request #1228 from invemichele/fix_plumed_install
Fix bug in lib/plumed/Install.py, some small cleanup and support parallel compile of plumed sources
2018-11-28 16:32:04 -05:00
8e07aaf005 update log files for ellipse and flow examples 2018-11-28 16:16:19 -05:00
4a8f1a7a08 update log files for eim example 2018-11-28 16:11:15 -05:00
37289f7476 update log files for dipole and dreiding example inputs. add running some MD steps for dreiding 2018-11-28 16:07:12 -05:00
3ce61c42d6 update log files for crack and deposit examples 2018-11-28 16:01:42 -05:00
98c8f22046 update log files for coreshell examples 2018-11-28 15:56:58 -05:00
296cab0b09 update log files for controller example 2018-11-28 15:40:14 -05:00
ab924e4f1d update log files for comb examples 2018-11-28 15:38:11 -05:00
852916983a update logs for colloid example 2018-11-28 14:53:29 -05:00
d0a83e9e12 update cmap example logfiles 2018-11-28 14:51:19 -05:00
2ed90c1669 update log files for body examples 2018-11-28 14:46:47 -05:00
c428088554 update logfiles for balance examples 2018-11-28 14:40:20 -05:00
77e7362168 update log files for airebo and atm examples 2018-11-28 14:28:20 -05:00
22e774adef Revert "Add --noinstall flag to use the plumed source code directly without issuing make install"
This reverts commit a4684e2629.

Revert --noinstall flag commit
2018-11-28 17:37:24 +01:00
8213287966 detect the number of available CPU for plumed make, as suggested by @akohlmey 2018-11-28 16:09:05 +01:00
a4684e2629 Add --noinstall flag to use the plumed source code directly without issuing make install 2018-11-28 15:43:35 +01:00
0d9e3779b8 capitalization of pre-processor inclusion guard 2018-11-28 08:45:15 -05:00
1616886c97 Corrected Another attempt to add Lebedeva potential 2018-11-28 11:56:39 +01:00
2d0d08093b Another attempt to add Lebedeva potential 2018-11-28 09:33:44 +01:00
3d5423f5da revert back to correct path to Plumed.inc.*. (my fault, I was not doing the 'make install') 2018-11-28 09:18:38 +01:00
55654ca68e fix memory leak due to virial_lmp 2018-11-28 00:35:47 +01:00
32abe35201 added -j8 option for faster plumed make 2018-11-28 00:08:55 +01:00
c87bdda9a8 fixed wrong path to Plumed.inc.* 2018-11-28 00:08:01 +01:00
1b50ad02fb fixed uninitialized var homedir 2018-11-28 00:06:50 +01:00
c0ab126e77 Merge pull request #1223 from akohlmey/next-patch-release
Patch release 27 November 2018
patch_27Nov2018
2018-11-27 16:37:10 -05:00
f254b8e3a3 Merge pull request #1226 from akohlmey/cmake-gpu-enhancements
Enhancements for using CMake with the GPU package, improved compatibility with cmake 3.x versions, improved handling of shared library building.
2018-11-27 16:05:47 -05:00
ebacd5ca6b anti-nitpick hack 2018-11-27 14:36:59 -05:00
79fafcb12c passing build type specific compiler flags to building the voro++ library 2018-11-27 09:57:21 -05:00
dbc798e286 correct passing flags to local voro++ build 2018-11-27 05:47:19 -05:00
6e8c537564 Merge pull request #1225 from akohlmey/last-minute-fixes
Last minute fixes
2018-11-26 22:56:44 -05:00
d43f229162 do not warn about deprecated GPU target archs 2018-11-26 22:48:23 -05:00
00b138f542 verbose CUDA assembly processing is more distracting than helping 2018-11-26 22:45:54 -05:00
1fdfc89d25 make $HOME/.local the default LAMMPS installation destination 2018-11-26 22:27:21 -05:00
d6ea31e143 implement changes suggested by @junghans for GPU/CUDA compilation 2018-11-26 22:06:10 -05:00
91b96fa0c9 build MESSAGE package client/server library always as static library 2018-11-26 21:37:23 -05:00
c980dd0a56 remove stray endif() 2018-11-26 20:56:13 -05:00
3ad74985eb replace more inline expansions with explicit code. some general overhaul and better propagation of consistent compiler settings and flags for library builds 2018-11-26 20:53:23 -05:00
aa0b9684dc remove inline expansion from two more cases (of external library builds) 2018-11-26 20:19:28 -05:00
05fb2d7587 more generated files/symlinks to ignore 2018-11-26 18:23:06 -05:00
5df2f92651 minor cleanup in lib/gpu 2018-11-26 18:22:33 -05:00
55359789fb improve docs for building the GPU library with CUDA and CMake/make with fat binaries 2018-11-26 18:13:50 -05:00
e0ff230268 remove comment-in-comment 2018-11-26 17:03:48 -05:00
b3975f4b14 reword a few options for clarity 2018-11-26 17:03:32 -05:00