VTSTCODE for VASP 6.3.0 GPU port

Vasp transition state theory tools

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shaoming
Posts: 3
Joined: Wed Dec 14, 2022 3:09 am

VTSTCODE for VASP 6.3.0 GPU port

Post by shaoming »

Dear developers,

I am not sure if the codes in vtstcode-188.tgz match with the VASP 6.3.0 with openacc compilation.

Best regrads,
Ming
jiyoung
Posts: 9
Joined: Fri Dec 02, 2022 4:24 am

Re: VTSTCODE for VASP 6.3.0 GPU port

Post by jiyoung »

Hello Ming,

Thank you for your post.

The recent version of vtstcode is new so we haven't tested with VASP 6.3.0 with other compilers yet. In the meantime, this forum will be useful for you: viewtopic.php?p=25206#p25206.

Let me know if you have any other issue.

Thanks,
Jiyoung
shaoming
Posts: 3
Joined: Wed Dec 14, 2022 3:09 am

Re: VTSTCODE for VASP 6.3.0 GPU port

Post by shaoming »

Hello jiyoung,

Thank you for your reply.

I have also tested the vtstcode6.1 (at VTST-188 folder) with OpenACC version of VASP 6.1.0, but the performance of paralelling over multi-gpu is abnormal. Please see the forum: viewtopic.php?t=15302

Thanks,
Ming
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