Hi There
I'm not an expert on amber but looking at your input, you appear to be
missing a comma after taup=2.0 - this might be causing problems. See what
happens if you insert a comma at that location.
Best
hayden
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
/
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Received on Wed Nov 14 2007 - 06:07:28 PST
