Dear Experts,
I run in amber24 with cuda. But i found an error message
NSTEP = 54000 TIME(PS) = 2192353.964 TEMP(K) = 299.55 PRESS =
0.0
Etot = -120108.6876 EKtot = 47383.3789 EPtot =
-167492.0665
BOND = 32117.3211 ANGLE = 2262.2114 DIHED =
3610.7928
1-4 NB = 913.6836 1-4 EEL = 13395.4557 VDWAALS =
30991.5829
EELEC = -250830.6470 EHBOND = 0.0000 RESTRAINT =
0.0000
EAMD_BOOST = 47.5328
------------------------------------------------------------------------------
NetCDF error: Disk quota exceeded
at write time
NetCDF error: Disk quota exceeded
NetCDF error: Disk quota exceeded
at write atom coords
NetCDF error: Disk quota exceeded
at write cell lengths
NetCDF error: Disk quota exceeded
at write cell angles
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Tue Mar 18 2025 - 07:00:03 PDT
