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commit 0b31d732044a9d9c950203ac17e849a32e01700b
Author: Daniele Rapetti <[email protected]>
Date:   Mon Sep 18 09:55:19 2023 +0200

    undone method extraction

commit 01ec42546b4277c6a0fcbf8f59489dea03bddc75
Author: Daniele Rapetti <[email protected]>
Date:   Mon Sep 18 09:43:31 2023 +0200

    adding forced threads limit in the tests

commit e7f12456ddbe30010a291dbeabdf5f6fdd7b6358
Author: Daniele Rapetti <[email protected]>
Date:   Mon Sep 18 09:07:55 2023 +0200

    renamed cuda test, for clarity

commit d0d4aa15617b8952f3f0826466c778bedca65406
Author: Daniele Rapetti <[email protected]>
Date:   Tue Sep 5 10:40:02 2023 +0200

    moving syncronization

commit 45be412a87fac376a1b0a7fb4dcc706d9213e15e
Author: Daniele Rapetti <[email protected]>
Date:   Mon Sep 4 17:10:32 2023 +0200

    removed dangerous pointers with swap

commit 991bd949b17dece0e6cfd6c6dce870e83385affd
Author: Daniele Rapetti <[email protected]>
Date:   Mon Sep 4 14:57:28 2023 +0200

    Moves specialized code in the CV file

commit 1a3d5c9bcd8f694c3b8e65f022091ce4dccf5c8c
Author: Daniele Rapetti <[email protected]>
Date:   Mon Sep 4 11:54:58 2023 +0200

    forgot to add the cudaHelpers header, formatted Coordination.cu

commit e796fbcf36baefa9a3c3990b958d587ea31027e7
Author: Daniele Rapetti <[email protected]>
Date:   Fri Sep 1 16:35:36 2023 +0200

    imporved the kernel/memory moving overlap

commit 53efe550eb1a2c3347e3dfb79d9e475663c12a23
Author: Daniele Rapetti <[email protected]>
Date:   Fri Sep 1 16:22:58 2023 +0200

    moved the reduction again into the main compute

commit f7a137a905c17125706487d27eebfa077c8e6d36
Author: Daniele Rapetti <[email protected]>
Date:   Fri Sep 1 15:53:18 2023 +0200

    moved the derivative reduction to improve kerne concurrency

commit baa413ff2576a02c1d38a525fe5233d0a62aa3cd
Author: Daniele Rapetti <[email protected]>
Date:   Fri Sep 1 15:24:02 2023 +0200

    some formatting in Coordination

commit 7ebda8a227a1eaa85f73e444f0723edb07a9a716
Author: Daniele Rapetti <[email protected]>
Date:   Fri Sep 1 14:49:18 2023 +0200

    moved the output args as last args in the coordination kernels

commit f26414b6664f54926724ea14018b358f8077e19c
Author: Daniele Rapetti <[email protected]>
Date:   Fri Sep 1 14:37:53 2023 +0200

    removed the variable "ones" from Coordination
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@Iximiel
Iximiel committed Sep 18, 2023
1 parent f6def09 commit 3f9636d
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Showing 12 changed files with 632 additions and 466 deletions.
10 changes: 0 additions & 10 deletions regtest/basic/rt42c-cuda/plumed.dat
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0 regtest/basic/rt42c-cuda/Makefile → ...t/basic/rtCUDACOORDINATION-nopbc/Makefile
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0 regtest/basic/rt42c-cuda/colvar.reference → ...rtCUDACOORDINATION-nopbc/colvar.reference
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0 regtest/basic/rt42c-cuda/config → ...est/basic/rtCUDACOORDINATION-nopbc/config
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0 regtest/basic/rt42c-cuda/deriv.reference → .../rtCUDACOORDINATION-nopbc/deriv.reference
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19 changes: 19 additions & 0 deletions regtest/basic/rtCUDACOORDINATION-nopbc/plumed.dat
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LOAD FILE=../../../../src/cudaCoord/Coordination.so
gpu: CUDACOORDINATION GROUPA=1-108 R_0=1 NOPBC
gpu512: CUDACOORDINATION GROUPA=1-108 R_0=1 THREADS=512 NOPBC
gpu256: CUDACOORDINATION GROUPA=1-108 R_0=1 THREADS=256 NOPBC
gpu128: CUDACOORDINATION GROUPA=1-108 R_0=1 THREADS=128 NOPBC
gpu64: CUDACOORDINATION GROUPA=1-108 R_0=1 THREADS=64 NOPBC
cpu: COORDINATION GROUPA=1-108 R_0=1 NOPBC

diff: CUSTOM ARG=gpu,cpu FUNC=y-x PERIODIC=NO
diff512: CUSTOM ARG=gpu512,cpu FUNC=y-x PERIODIC=NO
diff256: CUSTOM ARG=gpu256,cpu FUNC=y-x PERIODIC=NO
diff128: CUSTOM ARG=gpu128,cpu FUNC=y-x PERIODIC=NO
diff64: CUSTOM ARG=gpu64,cpu FUNC=y-x PERIODIC=NO

PRINT ARG=diff FILE=colvar FMT=%8.4f STRIDE=1
PRINT ARG=diff512,diff256,diff128,diff64 FILE=threadsDifferences FMT=%8.4f STRIDE=1

DUMPDERIVATIVES ARG=gpu,cpu FILE=deriv FMT=%8.4f
FLUSH STRIDE=1
109 changes: 109 additions & 0 deletions regtest/basic/rtCUDACOORDINATION-nopbc/threadsDifferences.reference
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#! FIELDS time diff512 diff256 diff128 diff64
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0 regtest/basic/rt42c-cuda/trajectory.xyz → ...c/rtCUDACOORDINATION-nopbc/trajectory.xyz
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