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Commit e3f63ab9 authored by Jan Siwiec's avatar Jan Siwiec
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gpu acceleration on karolina

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docs.it4i/software/chemistry/gaussian.md
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...@@ -98,7 +98,7 @@ the GAUSS_WDEF environment variable accordingly. ...@@ -98,7 +98,7 @@ the GAUSS_WDEF environment variable accordingly.
#### Karolina #### Karolina
At this time, GPU-accelereated execution on Karolina is not available, since Gaussian 16 does not support NVIDIA A100 GPUs. Karolina is equipped with NVIDIA A100 GPUs and the Ampere architecture requires new CUDA and compiler versions which are not currently supported by Gaussian 16. As a result, GPU-accelerated execution on Karolina is currently **not available**.
#### Barbora #### Barbora
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