> At line 810 of file runfiles.F90 (unit = 7, file = 'mdinfo')> [on
mdinfo] Resource temporarily unavailable
I suspect the program is not closing files successfully, probably this
one as it repeatedly opens and reopens it, so it runs out of file
descriptors. It would be nice if the prog could specify whether it was
on open or write.
Bill
On 4/21/16 3:43 AM, Karolina Markowska wrote:
> Hi,
>
> I'm using a simple command like:
>
> pmemd.cuda -O -i prod1.in -o prod1.out -p *.prmtop -c emd2.crd -x prod1.nc
> -r prod1.crd
>
> I'm running my jobs on a cluster with 4GPUs and the queueing system I use
> is Torque.
>
> And in the prod.in file looks like that:
>
> 50 ns accelerated MD (aMD) Langevin dynamics
> &cntrl
> imin=0,
> irest=1,
> ntx=5,
> nstlim=25000000,
> dt=0.002,
> ntc=2,
> ntf=2,
> nscm=0,
> ig=-1,
> cut=8.0,
> ntb=2,
> ntp=1,
> ntpr=1000,
> ntwx=1000,
> ntt=3,
> gamma_ln=1.0,
> temp0=300.0,
> ioutfm=1,
> iwrap=1,
> iamd=3,
> ethreshd=5545, alphad=239,
> ethreshp=-174476, alphap=12195,
> /
>
> Is it OK?
>
> Best regards.
>
>
> 2016-04-21 12:13 GMT+02:00 Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk>:
>
>> On Thu, 21 Apr 2016 11:01:03 +0200
>> Karolina Markowska <markowska.kar.gmail.com> wrote:
>>
>>> At line 810 of file runfiles.F90 (unit = 7, file = 'mdinfo')
>>> Fortran runtime error: Resource temporarily unavailable
>> This error message tells you that the data has not been finished
>> writing yet. So you obviously can't access it until it has. The pmemd
>> code does no guard against errors here and terminates.
>>
>> The interesting question is now why the file is not ready yet. This
>> may be related to the setup of your system. How are you running your
>> jobs?
>>
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Received on Thu Apr 21 2016 - 11:30:03 PDT
