I submitted a minimization run nut i got the following errors in slurm file
and output file.
*Slurm file with errors:Program received signal SIGSEGV: Segmentation fault
- invalid memory reference.Backtrace for this error:#0 0x2B6EA75B1697#1
0x2B6EA75B1CDE#2 0x2B6EA80443FF#3 0x563045 in nb_adjust_#4 0x56506B in
ewald_force_#5 0x748433 in force_#6 0x4F3259 in runmin_#7 0x4DDABC in
sander_#8 0x4D48E5 in MAIN__ at
multisander.F90:?/var/share/slurm/d/job1264536/slurm_script: line 25:
111966 Segmentation fault $exe -O -i min.in <
http://min.in> -o min.out
-p rnase_comp_sol.prmtop -c rnase_comp_sol.inpcrd -r min.ncrst*
*Outputfile:*
CHECK switch(x): max rel err = 0.2738E-14 at 2.422500
| CHECK d/dx switch(x): max rel err = 0.8314E-11 at 2.736960
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Received on Mon Feb 24 2025 - 02:30:02 PST
