AMBER: Difference between revisions

AMBER (view source)

686 bytes removed , 2 years ago

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163

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 ! AMBER version !! modules for running on CPUs !! modules for running on GPUs (CUDA) !! Notes
 |-
-| 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 </code> || GCC, FlexiBLAS & FFTW
+| amber/18 || <code>StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 scipy-stack/2019a amber/18</code> || <code>StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 cuda/9.0.176 scipy-stack/2019a
-|-
+amber/18</code>  || GCC, MKL
-| ambertools/21 ||   || <code>StdEnv/2020  gcc/9.3.0 cuda/11.0 openmpi/4.0.3 ambertools/21</code> || GCC, OpenBLAS & FFTW
-|-
-| amber/20.12-20.15 || <code> StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 amber/20.12-20.15 </code> || <code>StdEnv/2020  gcc/9.3.0 cuda/11.4 openmpi/4.0.3 amber/20.12-20.15</code>  || GCC, FlexiBLAS & FFTW
-|-
-| amber/20.9-20.15 || <code> StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 amber/20.9-20.15 </code> || <code>StdEnv/2020  gcc/9.3.0 cuda/11.0 openmpi/4.0.3 amber/20.9-20.15 </code> || GCC, MKL & FFTW
-|-
-| amber/18.14-18.17 || <code> StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 amber/18.14-18.17 </code> || <code>StdEnv/2020  gcc/8.4.0  cuda/10.2  openmpi/4.0.3 </code>  || GCC, MKL
 |-
 |}</tab>