I have been trying to perform steered QM/MM MD. I have restarted again from
the previous SMD file to increase the run time, but this type of error is
showing after some steps, and the run is halted in between.
/scratch/slurm_conf/spool/slurm/d/job29046/slurm_script: line 24:
/home/srabanimd/amber24/amber.sh: Permission denied
sander.quick.cuda:
/home/testfac5/amber24_src/AmberTools/src/quick/src/cuda/cusolver/quick_cusolver.c:165:
cuda_diag_: Assertion `CUSOLVER_STATUS_SUCCESS == cusolver_status' failed.
Program received signal SIGABRT: Process abort signal.
Backtrace for this error:
#0 0x7f7ed840651f in ???
#1 0x7f7ed845aa7c in ???
#2 0x7f7ed8406475 in ???
#3 0x7f7ed83ec7f2 in ???
#4 0x7f7ed83ec71a in ???
#5 0x7f7ed83fde95 in ???
#6 0x7f7edd83af32 in ???
#7 0x7f7edd6a569e in ???
#8 0x7f7edd6a6c54 in ???
#9 0x7f7edd7cb7ae in ???
#10 0x7f7edd6a8de6 in ???
#11 0x7f7edd6aa316 in ???
#12 0x7f7edd6ab0a6 in ???
#13 0x762937 in ???
#14 0x707540 in ???
#15 0x5a0ef9 in ???
#16 0x6332fe in ???
#17 0x5e75c0 in ???
#18 0x5e04cf in ???
#19 0x5e0525 in ???
#20 0x7f7ed83edd8f in ???
I am unable to understand.
--
Kriti Shukla
Research Scholar
Department of Chemistry
Indian Institute of Technology, Kharagpur
India. 721302
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Received on Fri Sep 19 2025 - 06:00:03 PDT
