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AMBER: Difference between revisions
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Currently, versions 18 and 18.10-18.11 are available on all clusters. | Currently, versions 18 and 18.10-18.11 are available on all clusters. | ||
<!--T:10--> | === Non-GPU versions === <!--T:10--> | ||
module load gcc/5.4.0 openmpi/2.1.1 amber/18 scipy-stack/2019a | module load gcc/5.4.0 openmpi/2.1.1 amber/18 scipy-stack/2019a | ||
or | or | ||
module load gcc/5.4.0 openmpi/2.1.1 amber/18.10-18.11 scipy-stack/2019a | module load gcc/5.4.0 openmpi/2.1.1 amber/18.10-18.11 scipy-stack/2019a | ||
<!--T:11--> | === GPU versions === <!--T:11--> | ||
<!--T:12--> | <!--T:12--> | ||
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module load gcc/5.4.0 cuda/9.0.176 openmpi/2.1.1 amber/18.10-18.11 scipy-stack/2019a | module load gcc/5.4.0 cuda/9.0.176 openmpi/2.1.1 amber/18.10-18.11 scipy-stack/2019a | ||
<!--T:15--> | === Known issues === <!--T:15--> | ||
<!--T:16--> | <!--T:16--> | ||