From: 辛志宏 (xzhfood_at_njau.edu.cn)
Date: Thu Feb 04 2021 - 06:04:53 CST
Dear NAMD,
I try to learn replica exchange molecular dynamics by namd2 and namd3 netlrts version, howerer, I can not launch namd2 or namd3, there occurred almost similar error information as follows,
I wonder how to fix it ?
I will be much appreciate for any suggestion.
$ charmrun namd3 ++local +p16 +replicas 16 job0.conf +stdout output/%d/job0.%d.log
Charmrun> scalable start enabled.
execve failed to start process "namd3": No such file or directory
Killed
# namd3 +p16 +replicas 16 job0.conf +stdout output/%d/job0.%d.log
Charm++: standalone mode (not using charmrun)
Charm++> Running in SMP mode: 1 processes, 16 worker threads (PEs) + 1 comm threads per process, 16 PEs total
Charm++> The comm. thread both sends and receives messages
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: Number of partitions does not evenly divide number of processes. Aborting
$ mpirun -np 16 namd3 +replicas 16 job0.conf +stdout output/%d/job0.%d.log
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 SMP mode: 1 processes, 1 worker threads (PEs) + 1 comm threads per process, 1 PEs total
Charm++> The comm. thread both sends and receives messages
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: Number of partitions does not evenly divide number of processes. Aborting
$ mpirun -np 16 namd3 +auto-provision +replicas 16 job0.conf +stdout output/%d/job0.%d.log
Charm++: standalone mode (not using charmrun)
Charm++> Running in SMP mode: 1 processes, 111 worker threads (PEs) + 1 comm threads per process, 111 PEs total
Charm++> The comm. thread both sends and receives messages
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: Number of partitions does not evenly divide number of processes. Aborting
$ mpirun -np 16 namd3 +p1 +replicas 16 job0.conf +stdout output/%d/job0.%d.log
Charm++: standalone mode (not using charmrun)
Charm++: standalone mode (not using charmrun)
Charm++> Running in SMP mode: 1 processes, 1 worker threads (PEs) + 1 comm threads per process, 1 PEs total
Charm++> The comm. thread both sends and receives messages
------- Partition 0 Processor 0 Exiting: Called CmiAbort ------
Reason: Number of partitions does not evenly divide number of processes. Aborting
Zhihong Xin
Nanjing Agricultural University
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