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-->
=== Non-GPU versions ===
  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


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=== GPU versions === <!--T:11-->
=== GPU versions ===


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  <!--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-->
=== Known issues ===


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<!--T:16-->
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