e1d31a5633
Merge branch 'develop' into pod-updates
2022-11-30 13:47:40 -05:00
9b7b45bdea
update lib/linalg README
2022-11-29 17:27:07 -05:00
e7d72040e1
update BLAS/LAPACK to version 3.11.0 from 22 Nov 2022
2022-11-27 18:06:01 -05:00
c366441c15
add DPOTSV and DPOTRS LAPACK functions
2022-11-27 18:05:54 -05:00
d3bb55fa4f
update BLAS/LAPACK to version 3.11.0 from 22 Nov 2022
2022-11-27 17:24:05 -05:00
5205e208a0
add DPOTSV and DPOTRS LAPACK functions
2022-11-27 17:18:23 -05:00
d75bf01b2d
create Makefile for ML-POD
2022-11-20 14:13:51 -05:00
e5a808fb8d
apply correct platform selection for OpenCL context
2022-11-01 04:05:57 -04:00
80a141d9c8
silence compiler warnings
2022-11-01 03:38:08 -04:00
ca091b2e75
update ELECTRODE package instructions for traditional make. fix plural/singular.
2022-10-27 16:23:55 -04:00
248b7383c7
Merge remote-tracking branch 'github/develop' into collected-small-changes
...
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
2022-10-24 15:50:50 -04:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
ef83f78e1e
add md5sums for plumed 2.7.5 and 2.8.1, update default version to 2.8.1
2022-10-21 09:28:15 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
ad54268544
silence compiler warning
2022-10-19 14:31:21 -04:00
9d081a5916
more adjustments for bogus timer results on Intel OpenCL
2022-10-19 07:39:56 -04:00
f867adc541
GPU Package fix where timing disable could result in event/marker destruction before completion on accelerator during initialization.
2022-10-19 02:16:29 -04:00
51c6eddd0d
Fix to make the property list empty for command queues when timing disabled.
2022-10-19 02:15:39 -04:00
fc8d9207c6
update Makefile.lammps, too.
2022-10-17 12:22:28 -04:00
a981843686
forgot updated Makefile
2022-10-17 11:51:50 -04:00
9f20347375
update PACE library for conventional build
2022-10-15 15:10:01 -04:00
c113253e2d
Merge branch 'develop' of https://github.com/lammps/lammps into kk_update_3.7
2022-10-10 13:44:02 -07:00
1fb07387b9
Merge pull request #3479 from yury-lysogorskiy/feature/pace-al
...
BUGFIX: address issue with compilation KOKKOS + pace/extrapolation
2022-10-10 14:57:13 -04:00
341bb57555
Update Install.py
2022-10-10 08:45:33 -07:00
7c9666798e
whitespace
2022-10-08 09:34:20 -04:00
7551c0a3ca
GPU Package: Documenting some additional preprocessor flags, updating oneapi Makefile.
2022-10-07 22:44:21 -07:00
5a98a38e24
GPU Package: Switching to parallel GPU initialization / JIT compilation.
2022-10-07 13:25:14 -07:00
f715f174bb
GPU Package: Print OCL platform name to screen when multiple platforms
2022-10-06 21:40:42 -07:00
a6a39d47e1
Fixing potential issues with automatic splitting of accelerators for NUMA.
2022-10-06 20:48:02 -07:00
e9f39f85d2
Fixing issue where shared main memory property only set for NVIDIA devices.
2022-10-06 20:05:33 -07:00
7157643fdd
Merge pull request #3315 from yury-lysogorskiy/feature/pace-al
...
ML_PACE with extrapolation grade / active learning
2022-10-05 20:16:13 -04:00
e51be5d6e0
Need desul library
2022-10-04 15:00:14 -06:00
f9f9e44f2d
Update Kokkos library in LAMMPS to v3.7.0
2022-10-04 14:04:40 -06:00
fb675028b9
whitespace
2022-09-29 02:42:11 -04:00
71464d8314
GPU Package: Fixing logic in OpenCL backend that could result in unnecessary device allocations.
2022-09-28 22:30:09 -07:00
6e34d21b24
GPU Package: Switching back to timer disabling with multiple MPI tasks per GPU. Logic added to prevent mem leak.
2022-09-28 21:02:16 -07:00
de28c9b19c
propagate new pace lib version tage and hash to lib/pace/Install.py
2022-09-27 15:27:43 -04:00
2e3fc4c054
Merge branch 'develop' into feature/pace-al
2022-09-25 16:01:48 -04:00
8d6629cb80
update MDI library to version 1.4.12 which plugs memory leaks on initialization
2022-09-18 11:04:57 -04:00
797a45232c
Merge branch 'fix-pair-dump-skip' into feature/pace-al
...
# Conflicts:
# src/fix_pair.cpp
2022-09-15 11:07:24 +02:00
1abfec066c
update MDI library version to 1.4.11
2022-09-12 12:30:34 -04:00
1364033055
Merge pull request #3432 from benmenadue/develop
...
Use primary context in CUDA GPU code.
2022-09-09 16:24:46 -04:00
d1fb2244e2
make downloaded version consistent
2022-09-09 15:21:42 -04:00
167abe9ce0
add preprocessor flags to select between the changed and the old code variant
2022-09-09 12:41:24 -04:00
ffb8b8ba97
Merge branch 'develop' into mdi-tweak
2022-09-09 00:03:39 -04:00
1cd47b762b
Update MDI plugin code
2022-09-09 02:28:06 +00:00
5c73befc66
upgrade to MDI 1.4.9
2022-09-07 13:57:20 -06:00
0d2db984eb
Merge branch 'develop' into benmenadue/develop
2022-09-06 19:25:21 -04:00
294a1c2168
Use primary context in CUDA GPU code.
...
Since LAMMPS uses the low-level driver API of CUDA, it needs to ensure
that it is in the correct context when invoking such functions. At the
moment it creates and switches to its own context inside `UCL_Device::set`
but then assumes that the driver is still in that context for subsequent
calls into CUDA; if another part of the program uses a different context
(such as the CUDA runtime using the "primary" context) this will cause
failures inside LAMMPS.
This patch changes the context creation to instead use the primary
context for the requested device. While it's not perfect, in that it
still doesn't ensure that it's in the correct context before making
driver API calls, it at least allows it to work with libraries that use
the runtime API.
2022-09-06 09:28:51 +10:00
51a4819bfc
Fixed an illegal preprocessor issue.
2022-09-02 11:42:30 -04:00
