[AMBER] PMEMD error message

From: neville forlemu <neville_forlemu.yahoo.com>
Date: Sun, 8 Mar 2009 13:37:09 -0700 (PDT)


I get this error message, when I use the following command to heat up my system.  It is complaining about a format error in my heat.in file. The file is shown below, has anyone had this problem and if yes what exactly in the file is it complaining. Thanks

mpirun -np 4 /opt/brinsoft/amber8/exe/pmemd -O -i heat.in -o heat.out
-p joxfact_wat.top -c joxfact_watmin.rst -r heat.rst -x heat.mdcrd -ref

lib-4324 : UNRECOVERABLE library error

Encountered during a namelist READ from unit 5

Fortran unit 5 is connected to a sequential formatted text file: "heat.in"

IOT Trap

MPI: MPI_COMM_WORLD rank 0 has terminated without calling MPI_Finalize()

MPI: aborting job

MPI: Received signal 6

This is my heat.in file
heating solvated joxfact complex                                            













&wt TYPE='TEMPO',istep1=0,istep2=25000,                                       


&wt TYPE='END'/


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Received on Mon Mar 09 2009 - 01:11:32 PDT
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