AMBER: invalid digit '*' in the input file

From: <rebeca.mmb.pcb.ub.es>
Date: Mon, 12 Nov 2007 15:06:16 +0100

Dear Amber users,

I am having troubles with several AMBER calculations. Some of them finish with
an error (in the error file) of the type of:

1525-097 A READ statement using decimal base input found the invalid digit '*'
in the input file. The program will recover by assuming a zero in its place.
1525-097 A READ statement using decimal base input found the invalid digit '*'
in the input file. The program will recover by assuming a zero in its place.
1525-097 A READ statement using decimal base input found the invalid digit '*'
in the input file. The program will recover by assuming a zero in its place.
(...)
srun: error: s05c5b05: task[8-11]: Segmentation fault
srun: Job Failed

The input file is OK, since I have used it for the previous simulations:

 &cntrl
  imin=0,
  irest=1,
  ntx=7,
  ntb=2,
  cut=10,
  pres0=1.0,
  ntp=1,
  taup=2.0
  ntr=0,
  ntc=2,
  ntf=2,
  tempi=300.0,
  temp0=300.0,
  ntt=3,
  gamma_ln=0.1,
  nstlim=700000,
  dt=0.002,
  ntpr=1000,
  ntwx=1000,
  ntwr=1000
 /

I am using Amber 9.0 and this error has appeared in several simulations that do
not have anything to do between them.

Has any of you had this type of problem in your simulations?

Thanks a lot for your help in advance,


Rebeca García Fandiño
Parc Cientific de Barcelona
Barcelona
rebeca.mmb.pcb.ub.es


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Received on Wed Nov 14 2007 - 06:07:27 PST
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