Translations:AMBER/42/en
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<tabs>
| AMBER version | modules for running on CPUs | modules for running on GPUs (CUDA) | Notes |
|---|---|---|---|
| ambertools/21 | StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 scipy-stack ambertools/21 |
StdEnv/2020 gcc/9.3.0 cuda/11.4 openmpi/4.0.3 scipy-stack ambertools/21 |
GCC, FlexiBLAS & FFTW |
| amber/20.12-20.15 | StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 amber/20.12-20.15 |
StdEnv/2020 gcc/9.3.0 cuda/11.4 openmpi/4.0.3 amber/20.12-20.15 |
GCC, FlexiBLAS & FFTW |
| amber/20.9-20.15 | StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 amber/20.9-20.15 |
StdEnv/2020 gcc/9.3.0 cuda/11.0 openmpi/4.0.3 amber/20.9-20.15 |
GCC, MKL & FFTW |
| amber/18.14-18.17 | StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 amber/18.14-18.17 |
StdEnv/2020 gcc/8.4.0 cuda/10.2 openmpi/4.0.3 |
GCC, MKL |
| AMBER version | modules for running on CPUs | modules for running on GPUs (CUDA) | Notes |
|---|---|---|---|
| amber/18 | StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 scipy-stack/2019a amber/18 |
StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 cuda/9.0.176 scipy-stack/2019a amber/18 |
GCC, MKL |
| amber/18.10-18.11 | StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 scipy-stack/2019a amber/18.10-18.11 |
StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 cuda/9.0.176 scipy-stack/2019a amber/18.10-18.11 |
GCC, MKL |
| amber/18.10-18.11 | StdEnv/2016 gcc/7.3.0 openmpi/3.1.2 scipy-stack/2019a amber/18.10-18.11 |
StdEnv/2016 gcc/7.3.0 cuda/9.2.148 openmpi/3.1.2 scipy-stack/2019a amber/18.10-18.11 |
GCC, MKL |
| amber/16 | StdEnv/2016.4 amber/16 |
|
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