|
LINCS Error in production run
|
|
2
|
124
|
May 1, 2026
|
|
Unusal barostat instability when using rocm-heffte that is not present when using vkfft
|
|
1
|
58
|
December 16, 2025
|
|
Segmentation fault error in mdrun
|
|
4
|
206
|
March 5, 2025
|
|
Mdrun not starting on Windows 10
|
|
0
|
51
|
November 19, 2024
|
|
No reference data for first slab (n=-2147483648) while using enforced rotation
|
|
3
|
284
|
June 26, 2024
|
|
MDRUN crash during gREST simulation under NVT ensemble
|
|
1
|
440
|
June 26, 2023
|
|
Mdrun Instability with deprotonated ARG topology with CHARMM36
|
|
0
|
334
|
January 12, 2023
|
|
System blowing up in decoupled ligand (in protein complex) simulation for ABFE calculations
|
|
9
|
1467
|
October 11, 2022
|
|
Fatal error: Setting the number of thread-MPI ranks is only supported with thread-MPI and GRO
|
|
0
|
1856
|
July 22, 2022
|
|
Issue with segmentation fault
|
|
0
|
1469
|
February 15, 2022
|
|
Error: X particles communicated to PME rank N
|
|
1
|
543
|
November 16, 2021
|
|
Continuing simulation with cpt file after a crash
|
|
2
|
1049
|
June 26, 2021
|
|
Error after restarting: particles communicated to PME rank 0 are more than 2/3 times the cut-off
|
|
0
|
678
|
May 27, 2021
|