AMBER: Difference between revisions

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! AMBER version !! modules for running on CPUs !! modules for running on GPUs (CUDA) !! Notes
! AMBER version !! modules for running on CPUs !! modules for running on GPUs (CUDA) !! Notes
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| ambertools/21 || <code> StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 </code> || <code>StdEnv/2020  gcc/9.3.0 cuda/11.4 openmpi/4.0.3 ambertools/21<p> StdEnv/2020 gcc/9.3.0 cuda/11.0 openmpi/4.0.3 ambertools/21</code><p> || GCC, FlexiBLAS & FFTW
| ambertools/21 || <code> StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 </code> || <code>StdEnv/2020  gcc/9.3.0 cuda/11.4 openmpi/4.0.3 ambertools/21 || GCC, FlexiBLAS & FFTW
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| ambertools/21 || <code>StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 </code>   || <code>StdEnv/2020  gcc/9.3.0 cuda/11.0 openmpi/4.0.3 ambertools/21</code> || GCC, FlexiBLAS & FFTW
| ambertools/21 ||  || <code>StdEnv/2020  gcc/9.3.0 cuda/11.0 openmpi/4.0.3 ambertools/21</code> || GCC, FlexiBLAS & FFTW
|}</tab>
|}</tab>
</tabs>
</tabs>
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