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cluster:73 [2021/08/19 12:20] hmeij07 [Sequencing Tools #4] |
cluster:73 [2021/10/15 14:13] hmeij07 [Hoomd] |
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on either cottontail2 or node n33 located at / | on either cottontail2 or node n33 located at / | ||
Some compilations require 7.x and are in / | Some compilations require 7.x and are in / | ||
+ | |||
+ | ====== Hoomd ====== | ||
+ | |||
+ | HOOMD-blue is a Python package that runs simulations of particle systems on CPUs and GPUs. | ||
+ | |||
+ | * https:// | ||
+ | * requires both minconda3 (centos7) **and** cuda-10.2 (so queue exx96 only) | ||
+ | * python3.x included | ||
+ | * starrlab | ||
+ | |||
+ | Set up env for miniconda and cuda | ||
+ | |||
+ | < | ||
+ | |||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | |||
+ | | ||
+ | | ||
+ | | ||
+ | |||
+ | which mpirun python conda | ||
+ | which nvcc | ||
+ | |||
+ | # installation (not sure how this works, does the * not get expanded in shell?) | ||
+ | # seems to have worked forcing gpu package install on greentail52 | ||
+ | conda install -c conda-forge hoomd=*=*gpu* | ||
+ | |||
+ | |||
+ | $ conda list | egrep -i " | ||
+ | cudatoolkit | ||
+ | hoomd | ||
+ | |||
+ | </ | ||
+ | |||
+ | * installed/ | ||
+ | |||
+ | < | ||
+ | |||
+ | ca-certificates-2021.10.8 | ||
+ | certifi-2021.10.8 | ||
+ | conda-4.10.3 | ||
+ | cudatoolkit-11.0.221 | ||
+ | hoomd-2.9.4 | ||
+ | openssl-1.1.1h | ||
+ | tbb-2020.2 | ||
+ | |||
+ | </ | ||
+ | |||
+ | ====== Miniconda2 ====== | ||
+ | |||
+ | * miniconda2 (python 2.7) is hiding in section | ||
+ | * " | ||
+ | * some packages require centos 6 (like cufflinks) | ||
+ | * many packages are also available in miniconda3 section | ||
+ | * requires centos 7 (python 3.9) | ||
====== Sequencing Tools #4 ====== | ====== Sequencing Tools #4 ====== | ||
+ | |||
+ | Added to miniconda3, see section " | ||
+ | |||
+ | * Requires centos7 so queues mwgpu, amber128, exx96 | ||
+ | * debug server greentail52 | ||
+ | * PREFIX=/ | ||
+ | * python 3.9 | ||
+ | * jcoolon lab | ||
+ | | ||
< | < | ||
+ | |||
+ | # environment | ||
+ | source / | ||
+ | export PATH=/ | ||
+ | export LD_LIBRARY_PATH=/ | ||
+ | |||
libgcc-7.2.0 | libgcc-7.2.0 | ||
Line 29: | Line 102: | ||
bedtools-2.30.0 | bedtools-2.30.0 | ||
+ | # cufflinks requires centos 6, weird, so also added to miniconda2, | ||
+ | # see section " | ||
</ | </ | ||
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* centos7 R v 3.6.0 | * centos7 R v 3.6.0 | ||
* use your HPC username and credentials | * use your HPC username and credentials | ||
+ | |||
+ | < | ||
+ | |||
+ | # native OS installation for rstudio | ||
+ | /bin/R | ||
+ | |||
+ | </ | ||
====== DMTCP ===== | ====== DMTCP ===== | ||
Line 610: | Line 691: | ||
</ | </ | ||
- | * https:// | + | |
* The SRA Toolkit and SDK from NCBI is a collection of tools and libraries for using data in the INSDC Sequence Read Archives. | * The SRA Toolkit and SDK from NCBI is a collection of tools and libraries for using data in the INSDC Sequence Read Archives. | ||
* requires centos7 (glibc) so queues mwgpu, amber128, exx96 | * requires centos7 (glibc) so queues mwgpu, amber128, exx96 | ||
Line 619: | Line 700: | ||
</ | </ | ||
+ | |||
+ | * **adapterremoval** https:// | ||
+ | * **bwa** https:// | ||
+ | * **bowtie2** http:// | ||
+ | |||
+ | These are all part of Miniconda3 (centos7), to setup the environment consult | ||
+ | |||
+ | * https:// | ||
+ | * queues: mwgpu, amber128, exx96, debug server greentail52 | ||
+ | |||
+ | They are also available via Miniconda2 (centos6), consult | ||
+ | |||
+ | * https:// | ||
+ | * queues: hp12, mw256fd, tinymem, debug server swallowtail | ||
+ | |||
+ | < | ||
+ | |||
+ | [hmeij@greentail52 ~]$ conda list | egrep " | ||
+ | adapterremoval | ||
+ | bowtie2 | ||
+ | bwa | ||
+ | |||
+ | </ | ||
+ | |||
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* location: / | * location: / | ||
* https:// | * https:// | ||
- | * biolab (jcoolon, tearley) | + | |
+ | * queues: hp12, tinymem, mw256fd mw128 | ||
+ | * debug server swallowtail | ||
+ | | ||
Line 950: | Line 1058: | ||
< | < | ||
+ | # env | ||
export PATH="/ | export PATH="/ | ||
export LD_LIBRARY_PATH="/ | export LD_LIBRARY_PATH="/ | ||
Line 963: | Line 1072: | ||
hdf5 | hdf5 | ||
kallisto | kallisto | ||
+ | |||
+ | |||
+ | # --- // | ||
+ | # Added packages below for Prof Coolon' | ||
+ | |||
+ | |||
+ | conda list | egrep -i " | ||
+ | bedtools | ||
+ | bowtie2 | ||
+ | cufflinks | ||
+ | samtools | ||
</ | </ |