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Installation and usage of TURBOMOLE
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Parallel Runs
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Utilization of more than 1 processors for RI-DFT M06-2x
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Topic: Utilization of more than 1 processors for RI-DFT M06-2x (Read 11867 times)
jlazare
Newbie
Posts: 2
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Utilization of more than 1 processors for RI-DFT M06-2x
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on:
August 24, 2015, 07:08:19 PM »
I cannot utilize more than one processors for RI-DFT m06-2x functional. I tested the same process using BP86 functional and the calculations went through normally. Can anybody explain why m06-2x doesn't work for m06-2x functional? The output file is attached regarding this issue. These calculations are done on a one methane molecule.
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uwe
Global Moderator
Hero Member
Posts: 582
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Re: Utilization of more than 1 processors for RI-DFT M06-2x
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Reply #1 on:
August 25, 2015, 10:51:55 AM »
Hi,
parallel jobs under Windows with RI-J and hybrid functionals are not supported. You can either use the Linux version instead, switch off RI and run it in parallel under Windows too - or run it in serial mode.
Regards,
Uwe
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TURBOMOLE Users Forum
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Installation and usage of TURBOMOLE
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Parallel Runs
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Utilization of more than 1 processors for RI-DFT M06-2x