Hello,
I am having trouble locating the source of this Fortran runtime error, and determining how to solve it. I am completing the Computing Binding Enthalpy Tutorial and am on Section 2, attempting to minimize the water box…Here is the following error after my command:
mpirun -np 2 pmemd.MPI -O -i all_min.in -p water.prmtop -c water_iso.rst7 -o water_min.out
At line 975 of file /mnt/c/Users/LivMeyer/Desktop/amber22_src/src/pmemd/src/mdin_ctrl_dat.F90 (unit = 5, file = 'all_min.in')
Fortran runtime error: End of file
Error termination. Backtrace:
#0 0x7f5f9d67a960 in ???
#1 0x7f5f9d67b4d9 in ???
#2 0x7f5f9d67c10f in ???
#3 0x7f5f9d8cf17b in ???
#4 0x7f5f9d8d03c4 in ???
#5 0x7f5f9d8d2e41 in ???
#6 0x7f5f9d8d30e3 in ???
#7 0x55dbf14d7816 in ???
#8 0x55dbf1657c50 in ???
#9 0x55dbf1638d06 in ???
#10 0x55dbf14c020e in ???
#11 0x7f5f9d20cd8f in ???
#12 0x7f5f9d20ce3f in ???
#13 0x55dbf14c0244 in ???
#14 0xffffffffffffffff in ???
--------------------------------------------------------------------------
Primary job terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus causing
the job to be terminated. The first process to do so was:
Process name: [[40616,1],0]
Exit code: 2
Also, my input file script is as follows:
All atoms minimization
&cntrl
imin = 1,
maxcyc = 10000,
ncyc = 500,
ntb = 1,
ntr = 0,
cut = 10.0
/
Thanks!
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Received on Tue Oct 03 2023 - 11:30:02 PDT
