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cluster:73 [2020/06/18 18:57]
hmeij07 [Sequencing Tools]
cluster:73 [2020/07/13 18:57]
hmeij07 [Mathematica]
Line 15: Line 15:
 Some compilations require 7.x and are in /share/apps/CENTOS7 \\ Some compilations require 7.x and are in /share/apps/CENTOS7 \\
  
-====== Sequencing Tools ======+====== Sequencing Tools #2 ======
  
-  * macs python package+  * macs python package (macs2 see below)
   * http://bowtie-bio.sourceforge.net/bowtie2/index.shtml   * http://bowtie-bio.sourceforge.net/bowtie2/index.shtml
   * https://deweylab.github.io/RSEM/   * https://deweylab.github.io/RSEM/
   * https://broadinstitute.github.io/picard/   * https://broadinstitute.github.io/picard/
   * https://bedtools.readthedocs.io/en/latest/content/installation.html   * https://bedtools.readthedocs.io/en/latest/content/installation.html
 +  * padillalab 
  
 <code> <code>
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 export LD_LIBRARY_PATH="/share/apps/CENTOS6/miniconda2/lib:$LD_LIBRARY_PATH" export LD_LIBRARY_PATH="/share/apps/CENTOS6/miniconda2/lib:$LD_LIBRARY_PATH"
 Successfully installed macs-1.4.3  # note: macs2 Python version must >= 3.6! Successfully installed macs-1.4.3  # note: macs2 Python version must >= 3.6!
 +
 +# or change python version to
 +# ls /share/apps/CENTOS6/python/2.7.9/bin/macs2
 +/share/apps/CENTOS6/python/2.7.9/bin/macs2
 +
 +# or change python version to
 +which python: /share/apps/CENTOS7/python/3.8.3/bin/python
 +pip list: Package         Version
 +--------------- -------
 +bowtie          0.11.0
 +MACS2           2.2.7.1
 +numpy           1.18.5
 +picard          2.3.2
 +scipy           1.4.1
 +
  
 export PATH="/share/apps/CENTOS6/sequencingtools/bowtie2-2.4.1-linux-x86_64:$PATH" export PATH="/share/apps/CENTOS6/sequencingtools/bowtie2-2.4.1-linux-x86_64:$PATH"
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     * portainer     * portainer
   * consult [[cluster:193|Docker Containers Usage]]   * consult [[cluster:193|Docker Containers Usage]]
 +  * QAC
  
 ====== Paleogenomics Tools ====== ====== Paleogenomics Tools ======
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   * BCFtools:Reading/writing BCF2/VCF/gVCF files and calling/filtering/summarising SNP and short indel sequence variants   * BCFtools:Reading/writing BCF2/VCF/gVCF files and calling/filtering/summarising SNP and short indel sequence variants
   * HTSlib: A C library for reading/writing high-throughput sequencing data    * HTSlib: A C library for reading/writing high-throughput sequencing data 
 +  * Archeology (kbrunson)
  
 <code> <code>
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   * https://openstructure.org/   * https://openstructure.org/
   * recipe at /share/apps/CENTOS6/openstructure/1.9-install.txt   * recipe at /share/apps/CENTOS6/openstructure/1.9-install.txt
 +  * Starrlab
  
 OpenStructure relies on these applications and Python 2.7.15 (see python2 section). OpenStructure relies on these applications and Python 2.7.15 (see python2 section).
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   * add the bin/ directory to your PATH (see examples on this page)   * add the bin/ directory to your PATH (see examples on this page)
   * http://abacus.gene.ucl.ac.uk/software/paml.html   * http://abacus.gene.ucl.ac.uk/software/paml.html
 +  * fcolanlab (wmei, ndelgaudio)
  
 ====== Spyder ====== ====== Spyder ======
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 ====== Python3 ====== ====== Python3 ======
  
-Added to both versions\\+  * Python 3.8.3 
 +  * /share/apps/CENTOS7/python/3.8.3  (so queues mwgpu, exx96) 
 +  * most packages found on this page 
 +  * picked up mpirun from miniconda2 apps (that may be a problem) 
 + 
 +<code> 
 + 
 +# needed for _ctypes to compile properly for https retrievals 
 + yum install openssl openssl-devel 
 + yum install yum install libffi-devel libffi 
 + 
 +  tar -xvf ../Python-3.8.3.tgz 
 +  cd Python-3.8.3/ 
 +  ./configure --prefix=/share/apps/CENTOS7/python/3.8.3 --enable-optimizations 
 +  make 
 +  make install 
 +  pip3 install --upgrade pip 
 +# make symbolic links python3->pyhton, pip3->pip 
 +# drop all the packages in from previous versions 
 +https://dokuwiki.wesleyan.edu/doku.php?id=cluster:73#python3 
 + 
 +</code> 
 + 
 + 
 +Added to both 3.5.2 versions\\
 pycuda\\ pycuda\\
  --- //[[hmeij@wesleyan.edu|Henk]] 2020/02/18 08:45//  --- //[[hmeij@wesleyan.edu|Henk]] 2020/02/18 08:45//
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   * location: /share/apps/FastQC/0.11.8   * location: /share/apps/FastQC/0.11.8
   * https://www.bioinformatics.babraham.ac.uk/projects/fastqc/   * https://www.bioinformatics.babraham.ac.uk/projects/fastqc/
 +  * biolab (jcoolon, tearley)
  
  
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-====== Sequencing Tools ======+====== Sequencing Tools #1 ======
  
 All of these are located in /share/apps/CENTOS6/python/3.5.2/ All of these are located in /share/apps/CENTOS6/python/3.5.2/
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   * deepbinner --help   * deepbinner --help
   * https://github.com/rrwick/Deepbinner   * https://github.com/rrwick/Deepbinner
 +  * fcohanlab (ndelgaudio)
  
 **Canu**: a single molecule sequence assembler for genomes large and small.  **Canu**: a single molecule sequence assembler for genomes large and small. 
Line 619: Line 665:
   * gpu version local to n78   * gpu version local to n78
   * sample programs /home/hmeij/freesurfer   * sample programs /home/hmeij/freesurfer
 +  * mindlab (ploui et al)
  
 ====== FSL ======  ====== FSL ====== 
Line 628: Line 675:
   * gpu version local on n78   * gpu version local on n78
   * sample programs /home/hmeij/fsl   * sample programs /home/hmeij/fsl
 +  * mindlab (ploui et al)
  
 ====== Campari ======  ====== Campari ====== 
Line 697: Line 745:
  
   * www: https://github.com/hpparvi/PyTransit   * www: https://github.com/hpparvi/PyTransit
 +  * astrolab
  
  
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   * program: see below, binary download, no requirement checks.   * program: see below, binary download, no requirement checks.
   * www: http://www.atnf.csiro.au/computing/software/miriad/INSTALL.html   * www: http://www.atnf.csiro.au/computing/software/miriad/INSTALL.html
 +  * astrolab (kflaherty)
  
 <code> <code>
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   * program: see below   * program: see below
   * www: http://dan.iel.fm/emcee   * www: http://dan.iel.fm/emcee
 +  * astrolab (kflaherty)
  
 <code> <code>
Line 892: Line 943:
  
 ====== Gromacs ===== ====== Gromacs =====
 +
 +Gromacs-2018 for GPU (RTX2080)
 +  * ''exx96'' queue
 +  * **/zfshomes/hmeij/k20redo/run.rtx sample script**
  
  
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 [[https://dokuwiki.wesleyan.edu/doku.php?id=cluster:119|GPU version]] [[https://dokuwiki.wesleyan.edu/doku.php?id=cluster:119|GPU version]]
  
-  * program: mcc, math, mathematica (v 11.0.1) +  * program: mcc, math, mathematica (v 12.1) 
-  * install dir: /share/apps/CENTOS6/mathematica/11.0.1+  * install dir: /share/apps/CENTOS6/mathematica/12.1
   * docs: on the web   * docs: on the web
   * www:  http://www.wolfram.com/mathematica/   * www:  http://www.wolfram.com/mathematica/
Line 1009: Line 1064:
     * http://reference.wolfram.com/mathematica/guide/ParallelComputing.html     * http://reference.wolfram.com/mathematica/guide/ParallelComputing.html
  
-Job submissions should go to queue //mathematica// which containes licensed nodes (all the hp12 nodes for now).+Job submissions can go to queue.
  
 ====== Eigen ===== ====== Eigen =====
Line 1211: Line 1266:
     * /share/apps/CENTOS7/lammps/03Mar2020.install     * /share/apps/CENTOS7/lammps/03Mar2020.install
     * CUDA_ARCH = sm_75 (probably only works on queue exx96)     * CUDA_ARCH = sm_75 (probably only works on queue exx96)
-  * sample script in ~hmeij/k20redo/run.rtx.lammps+  * **sample script in ~hmeij/k20redo/run.rtx.lammps**
  
 <code> <code>
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07