Dear all,
I successfully compiled the latest version of LAMMPS with GPU package using OpenCL, but I get an error after running my script on my workstation with 40 cores and having the latest version of ubuntu:
package gpu 0 split 1.0 tpa 2 omp 1
suffix gpu
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- Using acceleration for eam/alloy:
- with 40 proc(s) per device.
- with OpenCL Parameters for: NVIDIA_GPU (203)
- Horizontal vector operations: ENABLED
- Shared memory system: No
Device 0: Quadro K620, 3 CUs, 2 GB, 1.1 GHZ (Mixed Precision)
Initializing Device and compiling on process 0…Done.
Initializing Device 0 on core 0…Done.
Initializing Device 0 on core 1…Done.
Initializing Device 0 on core 2…Done.
Initializing Device 0 on core 3…Done.
Initializing Device 0 on core 4…Done.
Initializing Device 0 on core 5…Done.
Initializing Device 0 on core 6…Done.
Initializing Device 0 on core 7…Done.
Initializing Device 0 on core 8…Done.
Initializing Device 0 on core 9…Done.
Initializing Device 0 on core 10…Done.
Initializing Device 0 on core 11…Done.
Initializing Device 0 on core 12…Done.
Initializing Device 0 on core 13…Done.
Initializing Device 0 on core 14…Done.
Initializing Device 0 on core 15…Done.
Initializing Device 0 on core 16…Done.
Initializing Device 0 on core 17…Done.
Initializing Device 0 on core 18…Done.
Initializing Device 0 on core 19…Done.
Initializing Device 0 on core 20…Done.
Initializing Device 0 on core 21…Done.
Initializing Device 0 on core 22…Done.
Initializing Device 0 on core 23…Done.
Initializing Device 0 on core 24…Done.
Initializing Device 0 on core 25…Done.
Initializing Device 0 on core 26…Done.
Initializing Device 0 on core 27…Done.
Initializing Device 0 on core 28…Done.
Initializing Device 0 on core 29…Done.
Initializing Device 0 on core 30…Done.
Initializing Device 0 on core 31…Done.
Initializing Device 0 on core 32…Done.
Initializing Device 0 on core 33…Done.
Initializing Device 0 on core 34…Done.
Initializing Device 0 on core 35…Done.
Initializing Device 0 on core 36…Done.
Initializing Device 0 on core 37…Done.
Initializing Device 0 on core 38…Done.
Initializing Device 0 on core 39…Done.
Neighbor list info …
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 10000, page size: 100000
master list distance cutoff = 8.506786
ghost atom cutoff = 8.506786
binsize = 5.506786, bins = 44 19 55
0 neighbor lists, perpetual/occasional/extra = 0 0 0
Setting up Verlet run …
Unit style : metal
Current step : 0
Time step : 0.001
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
MPI_ABORT was invoked on rank 38 in communicator MPI_COMM_WORLD
with errorcode -1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
[cauchy:1193482] PMIX ERROR: UNREACHABLE in file …/…/…/src/server/pmix_server.c at line 2193
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
OpenCL error in file ‘/home/cauchy/Desktop/LAMMPS/lammps-4May2022/lib/gpu/geryon/ocl_kernel.h’ in line 467 : -4.
[cauchy:1193482] 31 more processes have sent help message help-mpi-api.txt / mpi-abort
[cauchy:1193482] Set MCA parameter “orte_base_help_aggregate” to 0 to see all help / error messages