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47 Open 214 Closed
47 Open 214 Closed
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Issues list

Volume Moves can be too large, resulting in negative volume bug
#525 opened May 18, 2024 by LSchwiebert
@LSchwiebert
Final Energy Output May be Omitted bug
#523 opened Apr 1, 2024 by LSchwiebert
@LSchwiebert
GOMC GPU binaries dp not build properly with CUDA 12.2
#522 opened Jan 2, 2024 by bc118
3
Three features suggested to be added to restart a simulation
#516 opened Sep 12, 2023 by qqlovekerry
Improve GOMC Build Process and Related Documentation enhancement
#492 opened Apr 28, 2023 by LSchwiebert
@LSchwiebert
2
Better Error Checking of PSF Files enhancement
#491 opened Apr 1, 2023 by LSchwiebert
1
GOMC NVT and NPT simulations halt with error if two boxes are specified
#479 opened Dec 11, 2022 by jpotoff
@LSchwiebert
1
Downloading main GOMC repo has merged header columns
#477 opened Nov 28, 2022 by bc118
@LSchwiebert
1
Nan produced by Molecular Transfer near edge of box
#467 opened Oct 6, 2022 by GregorySchwing
@GregorySchwing
7
Multiparticle move error:
#441 opened Jun 7, 2022 by jpotoff
@LSchwiebert
6
Large systems fail in CUDA Kernels for fixable reasons
#440 opened May 16, 2022 by GregorySchwing
Print Error message and terminate if Angles/Dihedrals are missing from PSF
#404 opened Jan 9, 2022 by GregorySchwing
Make PSF terms other than BOND/ANG/DIHE optional
#403 opened Jan 9, 2022 by GregorySchwing
Make box wrap reversible to original coordinates and support molecules with length > 1/2 box length
#399 opened Dec 20, 2021 by GregorySchwing
Get random seg faults when starting a job when multiple jobs on a GPU are running
#393 opened Dec 5, 2021 by bc118
Upgrade to random123 version 1.14 enhancement
#378 opened Oct 21, 2021 by LSchwiebert
Dev branch is now dependent on impropers/donors/acceptors/NNB/NGRP being defined in the psf.
#370 opened Aug 31, 2021 by GregorySchwing
Metamake finds wrong gcc/g++ WSU Grid (and possibly others) if icc/icpc isn't in the path
#363 opened Aug 21, 2021 by GregorySchwing
Consider printing the memory usage for GOMC simulation
#355 opened Jul 13, 2021 by bc118
Printing too many frames in trajectory files
#354 opened Jun 13, 2021 by GregorySchwing
1
Pdb files too big generated on GEMC_NpT for opening/transferring
#350 opened May 17, 2021 by mleao882
5
Box Shrunk on GEMC_NpT simulations
#344 opened Apr 30, 2021 by mleao882
1
Using VMD in a supercomputer for GEMC_NpT simulations
#343 opened Apr 30, 2021 by mleao882
Angle construction error after upgrading to most recent version
#335 opened Mar 29, 2021 by micahwelsch
1
11
Option to Compile for Optimal Instruction Set Architecture enhancement
#326 opened Mar 3, 2021 by LSchwiebert
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