SOFT : VinaLC
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Site du soft: https://github.com/XiaohuaZhangLLNL/VinaLC
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LICENSE:
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APACHE OPEN SOURCE LICENSE. See  https://github.com/XiaohuaZhangLLNL/VinaLC/blob/master/License

See software documentation for more informations.

Location: /usr/local/bioinfo/src/VinaLC
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Load binaries and environment:
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-> Version 93685c4 (bug in thread use https://github.com/XiaohuaZhangLLNL/VinaLC/issues/3)

#Need Openmpi-4.1.4
module load mpi/openmpi/4.1.4

module load bioinfo/VinaLC/93685c4

-> Version 93685c4-modif (compil with num_cpus=8, need 10 cpus-per-task)

#Need Openmpi-4.1.4
module load mpi/openmpi/4.1.4

module load bioinfo/VinaLC/93685c4-modif

Need: #SBATCH --cpus-per-task=10 #(8+2 mandatory , hard coded)
and max  #SBATCH --ntasks-per-node=12 (12 tasks *10 cpus=120cpus (128 on node)

Example directory for use on cluster:
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/usr/local/bioinfo/src/VinaLC/example_on_cluster

To submit: sbatch test_VinaLC-93685c4.sh 

See software documentation and our FAQ (http://bioinfo.genotoul.fr/index.php/faq/) for more informations.