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b74ef238c9
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Merge branch 'develop' into collected-small-fixes
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2024-09-10 23:32:37 -04:00 |
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4a11b96635
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update with upstream
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2024-09-10 23:31:37 -04:00 |
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b16bb27184
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revert to using the max number of blocks on device for each pass, as the number of blocks (32767 or 65535) already saturates the number of SMs anyway
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2024-09-10 09:47:07 -05:00 |
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c63c88f8b6
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reduced the max number of blocks for each transpose
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2024-09-10 08:58:42 -05:00 |
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f398add7d5
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fixed the value of shift being the number of rows processed in each chunk (g2y_m * b2y)
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2024-09-10 00:36:13 -05:00 |
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23bdc5ddc2
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Allowed number of blocks greater than 65,535 for k_transpose
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2024-09-10 00:18:50 -05:00 |
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af560356fe
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Merge branch 'develop' of https://github.com/lammps/lammps into aurora_updates
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2024-08-29 12:50:17 -05:00 |
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26aba2c314
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silence compiler warnings
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2024-07-28 11:49:27 -04:00 |
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5501f608f5
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fix out of bound memory access bug detected by hipcc
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2024-07-28 11:25:15 -04:00 |
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bae822fea7
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update Makefiles
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2024-07-19 15:23:49 +00:00 |
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45508baee5
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major refactor for restart, data file handling. removal of dead code.
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2024-06-19 11:09:56 -04:00 |
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4be1b41aef
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class n func rename
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2024-06-17 10:03:06 +02:00 |
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a4ac48addf
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add example file and author contrib
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2024-06-14 10:13:48 +02:00 |
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575853b27a
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correct headers' author
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2024-06-13 17:11:54 +02:00 |
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1b040d7108
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white space fix
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2024-06-13 13:49:18 +02:00 |
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35cbc84329
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Update lal_dpd_coul_slater_long.cpp
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2024-06-13 10:25:56 +02:00 |
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99263ed7d7
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init_atomic with new pair name
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2024-06-12 15:41:38 +02:00 |
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3686a7fcf3
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wrong cl / cubin header file names
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2024-06-12 15:25:28 +02:00 |
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84ed769ca3
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changing the fix name and file names for coherence
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2024-06-12 15:12:55 +02:00 |
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7f1fbca66f
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update lal_base_dpd for optional charged
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2024-06-12 14:30:54 +02:00 |
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e0c2009525
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update conditions, comments, better eflag handle
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2024-06-10 11:33:58 +02:00 |
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85c345cf2d
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duplicate calc of r
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2024-06-07 16:51:32 +02:00 |
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f5b2eb3a80
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Update lal_dpd_charged.cu
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2024-06-07 15:16:54 +02:00 |
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aadeb1149d
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double host write, wrong dpd cond
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2024-06-07 15:14:05 +02:00 |
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afc8c752fd
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wrong kernel params
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2024-06-07 11:31:33 +02:00 |
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001063250e
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allocate extra_fields
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2024-06-07 09:05:11 +02:00 |
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7cb73ca1a1
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maybe wrong scale
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2024-06-06 11:23:38 +02:00 |
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0da8be7525
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Update lal_dpd_charged.cu
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2024-06-06 11:20:21 +02:00 |
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ce9f99e9c1
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store_answersq for ecoul
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2024-06-06 11:19:06 +02:00 |
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71d8fe564f
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wrong init var and still force...
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2024-06-06 10:55:26 +02:00 |
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06f1b1bffa
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wrong names, old var del
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2024-06-06 10:50:30 +02:00 |
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7d2764da27
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only dpd coef update
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2024-06-06 10:42:09 +02:00 |
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be298634b7
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readdress force sp_cl
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2024-06-06 10:40:13 +02:00 |
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69309cab0c
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header fix missing var
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2024-06-06 10:36:31 +02:00 |
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0e9fef01e7
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class fix and header
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2024-06-06 10:32:45 +02:00 |
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c1db6a50ec
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move eflag
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2024-06-06 10:10:36 +02:00 |
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8eefc0d305
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debug scale_in ; n_stride
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2024-06-06 09:58:11 +02:00 |
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eb7f947a0c
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cuda forces + init var
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2024-06-05 17:49:27 +02:00 |
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9ea57acf54
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pack4 cutoffs
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2024-06-05 11:40:24 +02:00 |
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b187001f38
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atom charge and dpd/slater cutoff passing
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2024-06-04 19:13:56 +02:00 |
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9b14a880dc
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charge pointer and corrections
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2024-05-31 17:07:22 +02:00 |
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fcdcf65995
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creation + working CPU
new pair style dpd/charged which is the combination of dpd and coul/slater/long
Working on CPU, GPU in progress
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2024-05-31 15:12:37 +02:00 |
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a13d53dd65
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disable references to cuFFT (which is not yet used)
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2024-03-28 16:14:44 -04:00 |
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6a28e8d5f6
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Fixed bugs with sph gpu pair styles
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2024-03-18 13:27:21 -05:00 |
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953e01d2c4
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Linux to Windows cross-compilation is only supported by CMake
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2024-02-09 03:44:01 -05:00 |
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031cef558e
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silence unused parameter warnings in the gpu lib tree
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2024-02-06 20:18:43 -05:00 |
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5ece2139e8
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remove tabs and trailing whitespace
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2024-01-21 10:02:41 -05:00 |
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795d6e4420
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silence some more compiler warnings in CUDA code
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2024-01-21 09:36:10 -05:00 |
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b8ba3da4e2
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silence a few more compiler warnings
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2024-01-21 00:35:36 -05:00 |
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80ef8656e8
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remove some more dead code to silence compiler warnings
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2024-01-20 23:11:20 -05:00 |
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