Charm++> No provisioning arguments specified. Running with a single PE.
Use +auto-provision to fully subscribe resources or +p1 to silence this message.
Charm++: standalone mode (not using charmrun)
Charm++> Running in Multicore mode: 1 threads (PEs)
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: +partitions other than 1 is not allowed for multicore build
[0] Stack Traceback:
[0:0] namd2 0x17ce9e7
[0:1] namd2 0x53d375
[0:2] namd2 0x52e7c2
[0:3] libc.so.6 0x2b4a719cf555 __libc_start_main
[0:4] namd2 0x4145f5
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: +partitions other than 1 is not allowed for multicore build
Charm++> No provisioning arguments specified. Running with a single PE.
Use +auto-provision to fully subscribe resources or +p1 to silence this message.
Charm++: standalone mode (not using charmrun)
Charm++> Running in Multicore mode: 1 threads (PEs)
[0] Stack Traceback:
[0:0] namd2 0x17ce9e7
[0:1] namd2 0x53d375
[0:2] namd2 0x52e7c2
[0:3] libc.so.6 0x2b2104bab555 __libc_start_main
[0:4] namd2 0x4145f5
--------------------------------------------------------------------------
mpirun noticed that process rank 0 with PID 0 on node bogon exited on signal 11 (Segmentation fault).
Multi-copy algorithms (such as replica exchange) require at least one
process per replica, plus a Charm++ build based on "LRTS" (low-level
run-time system). Multi-copy-capable builds include netlrts, verbs,
and mpi. The older net and ibverbs builds do not support multi-copy.
NAMD built on netlrts and verbs is launched with charmrun like the older
net and ibverbs layers, with +replicas <replicas> +stdout <format>
options added to divide the processes into <replicas> partitions that
write to separate log files with %d in <format> replaced by the replica.
For example, to run 8 replicas writing to rep-0.log through rep-7.log:
Charm++: standalone mode (not using charmrun)
Charm++> Running in Multicore mode: 32 threads (PEs)
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: +partitions other than 1 is not allowed for multicore build
FATAL ERROR: restart with wrong number of replicas
while executing
"error "restart with wrong number of replicas""
invoked from within
"if { $num_replicas != $nr } {
error "restart with wrong number of replicas"
}"
(file "/home/xzhfood/software/NAMD_Git-2020-09-21_Linux-x86_64-multicore/lib/replica/umbrella.namd" line 35)
invoked from within
"source /home/xzhfood/software/NAMD_Git-2020-09-21_Linux-x86_64-multicore/lib/replica/umbrella.namd "
invoked from within
"if { ! [catch numPes] } { source /home/xzhfood/software/NAMD_Git-2020-09-21_Linux-x86_64-multicore/lib/replica/umbrella.namd }"
(file "job0.conf" line 5)
namd2 +p16 +replicas 16 job0.conf > job0.log
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: +partitions other than 1 is not allowed for multicore build