Dear Everyone,
I'm a newcomer for Amber software. I installed Amber8.0 on SGI machine and
launch it. When I launch sander program, there're some errors below:
lib-4324 : UNRECOVERABLE library error
Encountered during a namelist READ from unit 5
Fortran unit 5 is connected to a sequential formatted text file: "min.in"
IOT Trap
MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()
MPI: Received signal 6
[1] Exit 1 mpirun -np 4 sander -O -i min.in -p
hepta-water.top -c hepta-water.crd -r ...
My input is:
mpirun -np 4 sander -O -i min.in -p hepta-water.top -c hepta-water.crd -r
hepta-water.rst -o min.out &
min.in is below:
molecular dynamics run
&cntrl
imin=1,maxcyc=100,
nptr=10,
&end
END
Would you kindly tell me what's the problem and how to solve it? Thanks in
advance!
Yi Gao
Postdoctoral Research Associate
__________________________________________________________
Department of Chemistry
University of Nebraska -- Lincoln
Lincoln, NE, USA 68508
Phone: 1-402-472-9982 (O)
1-402-310-4155 (M)
Email: ygao.phase1.unl.edu
__________________________________________________________
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Received on Thu Jan 20 2005 - 22:53:00 PST
