I tried running the serial mode, but it also failed very quickly within 2-3
mins.
Error files are attached for your reference.
The first line says end of file error, but there are other messages in the
file which I don't understand.
forrtl: severe (24): end-of-file during read, unit 5, file
/mnt/iusers01/ceas01/r11831vd/P450-md/3A4/3A4-implicit-sol/heat3.in
Please suggest me what's wrong here.
On Mon, Jun 3, 2019 at 5:00 PM David A Case <david.case.rutgers.edu> wrote:
> 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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--
Regards,
Dr. Vaibhav A. Dixit,
Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The
University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
AND
Assistant Professor,
Department of Pharmacy,
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Birla Institute of Technology and Sciences Pilani (BITS-Pilani),
VidyaVihar Campus, street number 41, Pilani, Rajasthan 333031.
India.
Phone No. +91 1596 255652, Mob. No. +91-7709129400,
Email: vaibhav.dixit.pilani.bits-pilani.ac.in, vaibhavadixit.gmail.com
http://www.bits-pilani.ac.in/pilani/vaibhavdixit/profile
https://www.linkedin.com/in/vaibhav-dixit-b1a07a39/
ORCID ID: https://orcid.org/0000-0003-4015-2941
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- application/octet-stream attachment: heat4.out
- application/octet-stream attachment: heat3.in
Received on Mon Jun 03 2019 - 12:00:03 PDT
