Diffusion lammps (efficient_neuronet) History

lammps/test
efficient_neuronet3c030b5fdba0189f5799ef5…

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_neuronet3c030b5fdba0189f5799ef5…

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

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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

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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_neuronet3c030b5fdba0189f5799ef5…