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find /gpfs/sharedfs1/admin/hpc2.0/apps/schrodinger/2022-4/ -maxdepth 1 -executable -type f -printf "%f\n" | sort | pr -tT -8 | column -t autots diagnostdesmond gfxinfo jsc material phase_fqhy qiksim qikprop ska biolumin elements glide jws mxmd phase_hyqs qpld qiksim ssp blast epik hppmap HPC1.0Or knime oned_scr phase_qssc qpldqsite sta bmin epikx hppmap licadmin Original phase_sc qsite structur confgen fep_abso ifd ligand_slicadmin para_tes pipeline run structur testappconfgen confgenx fep_plusabso ifd-md ligprep ligand_s pfam prime schrodin version.testapp consensuconfgenx fep_soluplus impact machid ligprep phase_bu prime_mm shape_sc vsw constantconsensu ffb_fep_solu installa macromodmachid phase_da primex shape_sc watermap covalentconstant ffbuilde jaguar maestro macromod phase_fi qikfit sitemap shape_sc wscore desmondcovalent generate jobcontr maestro phase_fq qikprop sitemap |
Host Configuration
The Schrödinger Suite is configured to submit jobs directly to the SLURM job scheduler. Therefore, you do not need to wrap your commands in a submission script. You can execute Schrödinger commands directly from a login node. When you submit Schrödinger jobs, you do so to hosts. We have created the following hosts: slurm-parallel-24, slurm-parallel-48, slurm-parallel-96, slurm-parallel-192, slurm-parallel-384. Each one of these hosts will submit a job to SLURM's hi-core parallel partition for the number of cores specified by the number at the end of its name.
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