Dear AMBER users,
I run md simulation using the below file (prod.in) and commands:
production NTP
&cntrl
imin=0, nstlim=75000000,
dt=0.002, ntc=2, ntf=2, nrespa=1,
ntpr=5000, ntwx=5000,
ntt=3, temp0=310, ig=-1,
irest=1, ntx=5,
iwrap=1, ioutfm=1,
ntb=2, ntp=1,
gamma_ln=2,
/
pmemd.cuda -O -i 05_prod.in -o 05_prod.out -c cpx_04_eq_npt.rst -p SK.top
-r prod_SK.rst -x SK.mdcrd
after a day of calculation
I am getting the :
Note: The following floating-point exceptions are signalling:
IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
I didn't understand this message! Does my calculation end correctly or not?
Best regards
Abdelatif Messaoudi
LCMVAR, University of Batna 1, Algeria
Abdelatif Messaoudi
LCMVAR, University of Batna 1
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Received on Tue Apr 02 2024 - 10:30:02 PDT
