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NOTE: Each Amber directory contains scripts that you can source for setting up your environment:

  • amber.sh (bash)
  • amber.csh (csh)

CHPC

/uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT

Ember (CPU), Kingspeak

amber-ember

Intel compilers

MPI: /uufs/ember.arches/sys/pkg/mvapich2/std_intel/etc/mvapich2.sh

Ember (GPU)

NOTE: MPI version has changed as of 3-13-2015 due to problems with GNU mvapich 1.9

amber-ember-gpu

GNU compilers

MPI: /uufs/ember.arches/sys/pkg/mvapich2/2.0/etc/mvapich2.sh

CUDA 5.5 (system default)

Tangent

amber-tangent

Intel compilers

MPI: /uufs/chpc.utah.edu/common/home/u0827715/Amber/GIT/tangent.mpi.sh

Kepler (GPU)

NOTE: Kepler does NOT use a queuing system. Before running on Kepler ensure no one else is running using the 'top' command.

amber-kepler

GNU compilers

CUDA 5.0: /usr/local/cuda-5.0

No MPI

XSEDE

Stampede

/work/00301/tg455746/GIT/amber-stampede

Intel compilers

CUDA 5.0: Use "module load cuda/5.0"

Default MPI

 

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