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# Every application module is loaded by "module add XXX"
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module add parallel # In this (example) case GNU Parallel and MrBayes
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module add mrbayes-3.2.6
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module add parallel/20210922-gcc-10.2.1-iiyjqem # In this (example) case
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module add mrbayes/3.2.7a # GNU Parallel and MrBayes
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# Launch the analysis - calculate MrBayes for multiple files
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# Note Parallel will distribute task among 8 CPU threads (-j 8), so that
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# qsub must in this case contain select=1:ncpus=8 (see further)
@@ -4775,17 +4775,17 @@ \subsection{Tasks}
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# From any MetaCentrum frontend login to respective node running the task
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ssh exec_host # No need to specify user name; e.g. mandos9
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# Go to SCRATCH directory
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cd SCRATCHDIR # e.g. /scratch/USER/job_1234567.arien-pro.ics.muni.cz/
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cd SCRATCHDIR # e.g. /scratch/USER/job_12345678.meta-pbs.metacentrum.cz/
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# There are working data of currently running task...
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# Check whatever you need...
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\end{bashcode}
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\end{frame}
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\begin{frame}{Running R tasks on MetaCentrum}
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\begin{itemize}
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\item There are only some R packages, to get more create own package library and use it in scripts (see e.g. \texttt{/software/R/4.0.0/gcc/lib/R/library/})
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\item There are only some R packages, to get more create own package library and use it in scripts (see e.g. \texttt{.libPaths()} within \texttt{R})
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\item\alert{Be careful about paths!}
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\item In the \texttt{metacentrum.sh} script load R\texttt{module add R-4.0.0-gcc} and start there R script as usually \texttt{R CMD BATCH script.r}
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\item In the \texttt{metacentrum.sh} script load R, e.g. \texttt{module add r/4.1.3-gcc-10.2.1-6xt26dl} and start there R script as usually \texttt{R CMD BATCH script.r}
# After we get the interactive task, we are on new server
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module add gui # We need to add GUI module
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gui start --ssh # Start GUI (see above link for details)
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gui info # Print information about running VNC sessions
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gui info # Print information about running VNC sessions - use for TightVNC
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\end{bashcode}
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\begin{itemize}
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\item Download and install \href{https://www.tightvnc.com/}{TightVNC} (Windows installer or Java Viewer)
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\item Work as on normal Linux desktop (ensure to work in \texttt{\$SCRATCHDIR})\ldots
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\item It provides limited amount of resources, not suitable for big tasks
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\end{itemize}
@@ -4892,7 +4892,7 @@ \subsection{Archive data storage}
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\item Users must carefully set permissions!
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\begin{itemize}
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\item Sharing is done by specific UNIX group
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\item Users must set group ownership to particular group and permissions e.g. 770 for directories and 660 for files to avoid access of any other users
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\item Users must set group ownership to particular group and permissions e.g. \texttt{770} for directories and \texttt{660} for files to avoid access of any other users
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\item All members of the group must be able to manipulate the data
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