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Topic: A serious Issue That I Have Faced and Need Help  (Read 233 times)

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Offline adhikary

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A serious Issue That I Have Faced and Need Help
« on: May 29, 2020, 12:36:40 AM »
Dear Colleagues,

I am working with DMol3 in Biovia Material Studio 2017. Recently while I am working for optimization of a Graphene single sheet 8 x 8, it showed a strange failure notice. I tried for several times but it results same. It gives a failure notice as:

***** Error *****
I/O operation failed (38) during integral calculation. Could not write to a temporary file. Problem with disk space?
… Calling mpi_abort …
 Error from parallel task 2:

.
.
.  please see the attachment.

I am working in a windows machine. It is installed Windows 10 Education Version 2019. The PC specification as follows:
Intel(R) Xenon(R) CPU E5-2650 v2 @ 2.60 GHz; RAM 32GB; System type 64-bit O/S.
Hard drive 1TB; partitioned into 3 segments. Drive C: for only windows, 201 GB (free 167 GB), Drive E: for only Material Studio, 509 GB (Free 354 GB), and Drive F: only for data collection, 219 GB (free 219 GB).

If I run small molecule (less than 15 atoms) or use other modules it is working. But my present project is not running. I am expecting urgent help and your kind suggestion to resolve the problem, if available any. Advance thanks for all of you.

Keshab K. Adhikary
Keshab K. Adhikary
Center for Environment and Energy Research
Ghent University Global Campus
Yeonsu-Gu, Incheon; S. Korea

Offline Enthalpy

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Re: A serious Issue That I Have Faced and Need Help
« Reply #1 on: May 29, 2020, 04:35:33 PM »
Hi Adhikary,

The avatar is my personal work and it identifies me. I'd like you to find an other one. Thanks!

Offline adhikary

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Re: A serious Issue That I Have Faced and Need Help
« Reply #2 on: May 30, 2020, 02:50:13 AM »
Dear Enthalpy,

It is changed. Thanks.
Keshab K. Adhikary
Center for Environment and Energy Research
Ghent University Global Campus
Yeonsu-Gu, Incheon; S. Korea

Offline adhikary

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Re: A serious Issue That I Have Faced and Need Help
« Reply #3 on: June 23, 2020, 09:22:53 PM »
Dear all,

The problem really was serious. I solved the issue for the moment to continue the current works. It might be temporary solution. The whole drive was divided into three segments. I added segment 3 (drive F) to Drive C. The present total capacity is 582 Gb. The E-drive (segment 2) is 352 Gb. The jobs are running. But the system became little slower! Anyway job is running.

Adhikary
Keshab K. Adhikary
Center for Environment and Energy Research
Ghent University Global Campus
Yeonsu-Gu, Incheon; S. Korea

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