Hello Amber Users,
I am doing some calculation using the sander of Amber 11. In the mean time I got
the following message.
forrtl: severe (64): input conversion error, unit 9, file
/gpfs1/u/ac/jl/TT_com.rst
Image PC Routine Line Source
sander.MPI 0000000000FB477D Unknown Unknown Unknown
sander.MPI 0000000000FB3285 Unknown Unknown Unknown
sander.MPI 0000000000F5AD20 Unknown Unknown Unknown
sander.MPI 0000000000EFA62F Unknown Unknown Unknown
sander.MPI 0000000000EF9E62 Unknown Unknown Unknown
sander.MPI 0000000000F21793 Unknown Unknown Unknown
sander.MPI 00000000004F49CC Unknown Unknown Unknown
sander.MPI 00000000004A9E48 Unknown Unknown Unknown
sander.MPI 00000000004A8629 Unknown Unknown Unknown
sander.MPI 000000000040F8CC Unknown Unknown Unknown
libc.so.6 00002B820A6F9BC6 Unknown Unknown Unknown
sander.MPI 000000000040F7C9 Unknown Unknown Unknown
I checked the RST file (TT_com.rst) I have used, but I didn't find any unusual
coordinates or ****** mark in it.
I am NOT sure, what is going wrong with it. I have used the following input file
in my calculation.
Equilibration
&cntrl
irest=0, ntx=1,
nstlim=250000, dt=0.002,
irest=0, ntt=3, gamma_ln=1.0,
temp0=269.5, ig=7659,
ntc=2, ntf=2, nscm=1000,
ntb=0, igb=5,
cut=999.0, rgbmax=999.0,
ntpr=500, ntwx=500, ntwr=100000,
nmropt=1,
/
&wt TYPE='END'
/
DISANG=TT_chir.dat
Please let me know, how to overcome this.
Thanks in advance for your suggestions.
Jagur
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Received on Tue May 03 2011 - 14:30:03 PDT
