Diffusion lammps (efficient_neuronet) History

lammps/test
efficient_neuronet76e063887acf0ca5ea878ce…

Jul 28 2016

add tests for anisotropic and triclinic box relaxation
55a138cdca6a
·Axel Kohlmeyer on Jul 28 2016, 22:47.

Jul 19 2016

make python library tests python3 compatible
ec9c9a235a2b
·Axel Kohlmeyer on Jul 19 2016, 17:35.

Jun 16 2016

update syntax in respa for fixes tests
51e86f6519dd
·Axel Kohlmeyer on Jun 16 2016, 23:55.

Jun 14 2016

3 new test cases to check adjusting the respa level for fixes
5a950e73bf89
·Axel Kohlmeyer on Jun 14 2016, 05:47.

Jun 1 2016

update .gitignore files
48012d2b19e6
·Axel Kohlmeyer on Jun 1 2016, 05:59.

Apr 23 2016

implement a write_coeff command to complement the recent nocoeff hacks
4482096c7b68
·Axel Kohlmeyer on Apr 23 2016, 05:09.

Apr 22 2016

use nocoeff keyword for skipping force field info when reading data file
823bb13c2b06
·Axel Kohlmeyer on Apr 22 2016, 03:18.
rename "nocoeffs" flag to "nocoeff" to be consistent with write_data
122523c51d32
·Axel Kohlmeyer on Apr 22 2016, 03:12.

Apr 21 2016

add test for new feature to read data files with force field data using zero…
c1ca20df49eb
·Axel Kohlmeyer on Apr 21 2016, 23:57.

Mar 29 2016

update tests for compute bond to match steve's changes
6e4c0fa95435
·Axel Kohlmeyer on Mar 29 2016, 13:43.

Mar 13 2016

add simple test for newly added compute bond command
6eb1ade2f0ad
·Axel Kohlmeyer on Mar 13 2016, 02:31.

Mar 11 2016

try different strategy to avoid unexpected deadlocks with MPI+OpenMP when…
e45ca540e0b7
·Axel Kohlmeyer on Mar 11 2016, 04:47.

Mar 10 2016

disable another test that fails with 4xMPI+1xOpenMP
c954b454bac9
·Axel Kohlmeyer on Mar 10 2016, 17:24.
disable test to avoid errors in TravisCI with docker based testing
874bd68cd12f
·Axel Kohlmeyer on Mar 10 2016, 16:30.

Feb 18 2016

run all inputs twice: once with -screen none, onece with -log none
a8aadcc1dc25
·Axel Kohlmeyer on Feb 18 2016, 17:08.

Dec 16 2015

test 2x MPI w/o OpenMP instead of 2+2 for now
7ed4da41c835
·Axel Kohlmeyer on Dec 16 2015, 23:20.
temporarily disable test until we find out what causes the OpenMP issues
dcf6b8e04676
·Axel Kohlmeyer on Dec 16 2015, 19:28.

Oct 27 2015

add some simple tests for displace_atoms
4ef17e113216
·Axel Kohlmeyer on Oct 27 2015, 00:15.

Oct 26 2015

add some simple tests for rerun.
58176fdc78c6
·Axel Kohlmeyer on Oct 26 2015, 13:32.

Oct 16 2015

add test for vashishta potential
a5c53c967f17
·Axel Kohlmeyer on Oct 16 2015, 12:39.

Oct 15 2015

add test for shake with one angle and two different bond lengths to constrain
b58667ce16bb
·Axel Kohlmeyer on Oct 15 2015, 22:54.

Sep 29 2015

add tests for dihedral style table culled from LAMMPS mail archive
6e53fc9e7dcd
·Axel Kohlmeyer on Sep 29 2015, 22:31.

Sep 28 2015

minimizer test cases
ef13e06a93c1
·Axel Kohlmeyer on Sep 28 2015, 17:32.

Sep 10 2015

finally re-enable r-RESPA tests and use is_active() to skip them for USER-OMP
06e347d0ee36
·Axel Kohlmeyer on Sep 10 2015, 23:28.
some more tests for CG models
c60e7475a0e6
·Axel Kohlmeyer on Sep 10 2015, 18:03.
some more simple tests added
b4f626fe1cd4
·Axel Kohlmeyer on Sep 10 2015, 17:29.
add some more tests from the OpenMP example library
cfbaae1ffa1c
·Axel Kohlmeyer on Sep 10 2015, 17:19.

Sep 8 2015

add changes that makes testing the library interface tests work for C/C++
49f2b3132432
·Axel Kohlmeyer on Sep 8 2015, 22:48.

Sep 3 2015

added partial implementation for testing the library interface from C/C++
59177115d23e
·Axel Kohlmeyer on Sep 3 2015, 21:59.

Sep 2 2015

add example with passing cmdline flags to the LAMMPS instance
8bc71f43ff61
·Axel Kohlmeyer on Sep 2 2015, 23:05.
correct ordering of command line arguments for python tests
f30268224552
·Axel Kohlmeyer on Sep 2 2015, 03:46.
we must not cause non-zero exist status in .travis.yml. use relative path for…
609f84cf747a
·Axel Kohlmeyer on Sep 2 2015, 03:16.
add clean target to python module test dir
354af812664c
·Axel Kohlmeyer on Sep 2 2015, 00:59.
add maintain list of files to ignore
96a941c6b53e
·Axel Kohlmeyer on Sep 2 2015, 00:54.
add integration testing for python module
bf07465617e7
·Axel Kohlmeyer on Sep 2 2015, 00:53.

Sep 1 2015

add access to Universe::numver in info and variable
f3b15d6262e4
·Axel Kohlmeyer on Sep 1 2015, 00:03.

Aug 29 2015

adapt test inputs to "timers -> timer" command rename
02b9eeed5f18
·Axel Kohlmeyer on Aug 29 2015, 13:08.

Aug 26 2015

disable currently unsupported r-RESPA tests and re-enabled comm tests
01a5ea6fb935
·Axel Kohlmeyer on Aug 26 2015, 21:46.
disable comm_style related tests for now to validate if local test and CI agree
99c403139dbe
·Axel Kohlmeyer on Aug 26 2015, 17:52.
add test for deleting tally computes "in the middle". fails if not properly…
37c5db10afeb
·Axel Kohlmeyer on Aug 26 2015, 13:33.
correct path to data file.
ee18ec8ec217
·Axel Kohlmeyer on Aug 26 2015, 07:11.
more tests for recently added features
9a5265221c70
·Axel Kohlmeyer on Aug 26 2015, 04:23.
trigger per type communication cutoff output in test
37412828017c
·Axel Kohlmeyer on Aug 26 2015, 04:19.
add a run 0 to test, so we get to see the multi-type communication cutoffs
daec4f01537a
·Axel Kohlmeyer on Aug 26 2015, 03:28.

Aug 19 2015

small update to test input for AWPMD to make them consistent
f54d5175f7a7
·Axel Kohlmeyer on Aug 19 2015, 22:48.
remove bogus log file
ed36bef66c12
·Axel Kohlmeyer on Aug 19 2015, 22:46.
enable building MEAM (fortran!) and USER-AWPMD
7bda7dfa3dfc
·Axel Kohlmeyer on Aug 19 2015, 22:44.
incorporate some more of the standard examples as tests
8ba4f16082ef
·Axel Kohlmeyer on Aug 19 2015, 14:01.

Aug 17 2015

test input for various run style respa options
b5320aceff42
·Axel Kohlmeyer on Aug 17 2015, 02:22.
added minimal tests for empty inputs and read_data
80ce074de02a
·Axel Kohlmeyer on Aug 17 2015, 02:10.
some more processors and load balancing inputs
59efd6cb7812
·Axel Kohlmeyer on Aug 17 2015, 00:21.
add some commands for communication and load balancing
75efe7da4593
·Axel Kohlmeyer on Aug 17 2015, 00:08.

Aug 15 2015

basic integration of Travis-CI for build testing
2319e569b5a5
·Axel Kohlmeyer on Aug 15 2015, 00:27.

Sep 7 2014

removing outdated tests and attempts at a regression suite
4ce5622932a0
·Axel Kohlmeyer on Sep 7 2014, 21:35.

Oct 6 2013

handle citation marker in test comparison program
1ec5ab76a93a
·Axel Kohlmeyer on Oct 6 2013, 15:17.

Jun 30 2013

cleanups
f77ac8175847
·Axel Kohlmeyer on Jun 30 2013, 12:45.

Jan 19 2012

Code formatting and added log file for table with bitmap for regression tests.
4b0e911573fd
·W. Michael Brown on Jan 19 2012, 22:15.
Making regression test logs consistent with new tests.
f2fc03bf8e2d
·W. Michael Brown on Jan 19 2012, 00:12.

Jan 18 2012

Renaming eam/alloy/gpu tests.
922a9d172d1e
·W. Michael Brown on Jan 18 2012, 23:28.
Merge branch 'master' of https://bitbucket.org/wb8/lal
5870b4fff77b
·W. Michael Brown on Jan 18 2012, 23:22.
Updated the potential table with two entries
9fc0083f6a91
·Nguyen on Jan 18 2012, 22:49.
Rearranged pair table/gpu kernels, bugs in bitmap style
7f703cb29a5f
·Nguyen on Jan 18 2012, 22:22.
Added tests for two-type eam
67362186addf
·Nguyen on Jan 18 2012, 22:13.
Cleaning up new regression tests. Fresh run of all tests for CPU/GPU. Table…
9536e6921158
·W. Michael Brown on Jan 18 2012, 21:35.

Jan 17 2012

Renaming some regression tests. Removing eam energy conservation test. Adding…
ef3365d3ff86
·W. Michael Brown on Jan 17 2012, 23:39.

Dec 19 2011

Moving energy pointer offset to only happen with eflag in eam. Adding some…
d8657857868e
·W. Michael Brown on Dec 19 2011, 19:12.

Dec 3 2011

Fixed bugs in passing fp to energy kernel, switch fp to numtyp, virial…
51e3ab376454
·Trung Nguyen on Dec 3 2011, 18:00.

Nov 29 2011

Actually added buck/gpu, buck/coul/gpu tests and an example table for table/gpu…
c5f95f932e5b
·Nguyen on Nov 29 2011, 22:26.
Added tests for buck/gpu, buck/coul/gpu, table/gpu and yukawa/gpu
7e3984afe455
·Nguyen on Nov 29 2011, 22:23.
Added energy conservation tests for eam/gpu
ccfb641e19b5
·Nguyen on Nov 29 2011, 21:37.

Nov 16 2011

Replace __float2int_rn with __float2int_rd so that it gives the same answer as…
64ec9a8cd080
·Nguyen on Nov 16 2011, 15:45.

Nov 15 2011

Modified EAM tests
0fd91e084e15
·Nguyen on Nov 15 2011, 22:01.
Add more EAM tests
aab9de47199c
·Nguyen on Nov 15 2011, 21:48.
Fixed preprocessor compile errors in DOUBLE precision CUDA compiles. Added…
ea346772202c
·W. Michael Brown on Nov 15 2011, 20:35.
Add EAM cpu/gpu tests
d667f1e3496a
·Nguyen on Nov 15 2011, 18:02.

Nov 14 2011

Adding LAMMPS regression tests to LAMMPS from old code repository.
4d96e85601ae
·W. Michael Brown on Nov 14 2011, 20:41.

lammps/testefficient_neuronet76e063887acf0ca5ea878ce…

Jul 28 2016

Jul 19 2016

Jun 16 2016

Jun 14 2016

Jun 1 2016

Apr 23 2016

Apr 22 2016

Apr 21 2016

Mar 29 2016

Mar 13 2016

Mar 11 2016

Mar 10 2016

Feb 18 2016

Dec 16 2015

Oct 27 2015

Oct 26 2015

Oct 16 2015

Oct 15 2015

Sep 29 2015

Sep 28 2015

Sep 10 2015

Sep 8 2015

Sep 3 2015

Sep 2 2015

Sep 1 2015

Aug 29 2015

Aug 26 2015

Aug 19 2015

Aug 17 2015

Aug 15 2015

Sep 7 2014

Oct 6 2013

Jun 30 2013

Jan 19 2012

Jan 18 2012

Jan 17 2012

Dec 19 2011

Dec 3 2011

Nov 29 2011

Nov 16 2011

Nov 15 2011

Nov 14 2011

lammps/test
efficient_neuronet76e063887acf0ca5ea878ce…