[gmx-users] I/O problem

Chen Hao hchen at mdl.ipc.pku.edu.cn
Mon Nov 1 18:43:55 CET 2004


Hi, I run MD simulation on a linux cluster, mdrun process running on 
compute host write files through NFS to disk array on server host. 
During the calculating process, the server host has some problem so I 
reboot the machine. After the server host starts, I check the files by 
gmxcheck and it says that ener.edr has something wrong, but I can use 
gmxdump to read the data. My question is: whether the gmxdump's data is 
reliable or not?
The error message from gmxcheck is the following:
WARNING: there may be something wrong with energy file ener.edr    
Found: step=0, nre=0, ndisre=0, nblock=0, time=0.
Trying to skip frame expect a crash though
  
Timesteps at t=200.9 don't match (0.100006, -200.9)  
 
WARNING: there may be something wrong with energy file ener.edr
Found: step=0, nre=0, ndisre=0, nblock=0, time=0.  
Trying to skip frame expect a crash though   

Timesteps at t=0 don't match (-200.9, 0)

WARNING: there may be something wrong with energy file ener.edr     
Found: step=0, nre=0, ndisre=0, nblock=0, time=0.
Trying to skip frame expect a crash though

WARNING: there may be something wrong with energy file ener.edr
Found: step=0, nre=0, ndisre=0, nblock=0, time=0.
Trying to skip frame expect a crash though

WARNING: there may be something wrong with energy file ener.edr    
Found: step=0, nre=0, ndisre=0, nblock=0, time=0.
Trying to skip frame expect a crash though

...



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