On Mon, Jun 03, 2019, Vaibhav Dixit wrote:
>The job didn't even start properly, mdout file is very small (pasted below,
>only 7 KB).
OK...so it seems that the grep output you put in the last email was
unrelated to this problem (since it had NSTEP going to 1500000 or so.)
I don't see any problem offhand in your output, but I never run constant
pH simulations, so others may wish to chime in here. Run a short
simulation in serial mode -- sometimes a serial calculation gives better
error messages.
....dac
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Received on Mon Jun 03 2019 - 09:30:02 PDT
