Dear all,
Experiencing bug when running calculations on GPU to get linear response properties at finite electric field. The system is NaBr 54 atoms.
Vasp version is vasp 6.4.1 on NERSC. OUTCAR clearly outputs that it is a bug I should not see the message.
Kind Regards,
Vladimir
Bug in GPU calcs for VASP6 with LCALCEPS = True
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vladimir.ladygin
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Bug in GPU calcs for VASP6 with LCALCEPS = True
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jonathan_lahnsteiner2
- Global Moderator
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Re: Bug in GPU calcs for VASP6 with LCALCEPS = True
Dear vladimir.ladygin,
I will look into this issue but this will take some time. Currently, it looks like there is a bug in the code.
I will try to find a fix for the issue and will come back to you.
Thank you for reporting.
All the best Jonathan
I will look into this issue but this will take some time. Currently, it looks like there is a bug in the code.
I will try to find a fix for the issue and will come back to you.
Thank you for reporting.
All the best Jonathan