GROMACS development

Today

06:59 PM GROMACS Bug #3211 (New): Lincs GPU kernel with DD fails for some cases with out-of-bounds shared-memory access

In the lincs GPU kernel we have code like this (L201 in lincs_cuda.cu)
int c1 = gm_coupledConstraints...

11/14/2019

12:41 PM GROMACS Bug #3164 (In Progress): mdrun-mpi-test with separate PME ranks and PP-PME CPU comm crashes

This is fixed by https://gerrit.gromacs.org/c/gromacs/+/14223

11/11/2019

04:43 PM GROMACS Feature #3160: implement direct comm for different src/target memory spaces

Sorry, what I said above wan't quite right. One PP task wasn't taking the path not because of the pasted condition ...

01:03 PM GROMACS Feature #3022 (Resolved): modernized naming for new GPU developments

11/07/2019

05:26 PM GROMACS Task #3158 (In Progress): use MPI_Isend() in sendFToPpCudaDirect and receiveCoordinatesFromPpCudaDirect

05:25 PM GROMACS Feature #3022 (In Progress): modernized naming for new GPU developments

Addressed in https://gerrit.gromacs.org/c/gromacs/+/14162

03:34 PM GROMACS Task #3158: use MPI_Isend() in sendFToPpCudaDirect and receiveCoordinatesFromPpCudaDirect

Implemented for coordinates in https://gerrit.gromacs.org/c/gromacs/+/14159

11/01/2019

03:15 PM GROMACS Feature #3160: implement direct comm for different src/target memory spaces

>> extend to support case where PME is on CPU and PP is on GPU.
> Have code offline that almost works, just faili...

11:26 AM GROMACS Task #3159 (In Progress): eliminate regression due to moving gmx_pme_send_coordinates()

Direct CPU->GPU copy already works in master branch by setting sendCoordinatesFromGpu=true.
With NVLINK on DGX,...

11:12 AM GROMACS Bug #3100 (Closed): crash with GPU comm DD