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--- cluster:73 [2021/10/27 14:32]
hmeij07 [Hoomd]
+++ cluster:73 [2021/11/24 18:17]
hmeij07 [Miniconda3]
@@ Line 21: / Line 21: @@
 ====== EasyBuild ======
- EasyBuild is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way.
+EasyBuild is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way.
-  * maybe use alongside OpenHPC modules?
-  * replacement for miniconda?
-EasyBuild 4.4.2 supports 2469 different software packages (incl. toolchains, bundles)
+  * supports 2469 different software packages (incl. toolchains, bundles)
-  * [[cluster:209|EasyBuild]] page with details
+  * local page with lots of details  **[[cluster:209|EasyBuild]]**
+Easybuild uses ''environment-modules'' to control the environment. Load the module of interest and all dependencies will be taken care of. See below.
+**Installed modules** and their dependencies
+  * astropy/4.2.1-fosscuda-2020b
+    * https://dokuwiki.wesleyan.edu/doku.php?id=cluster:209#astropy
+    * contains package mpi4py, multithreading
+    * import erfa (needs to be loaded too), added later (pycuda, h5py for helios)
+    * to find ''libcuda.so.1'' set export path below
+  * emcee/2.2.1-foss-2019a
+    * https://dokuwiki.wesleyan.edu/doku.php?id=cluster:209#emcee
+    * contains package mpi4py, multithreading
+  * PyCUDA/2020.1-fosscuda-2020b
+    *
+To use module, discover the modules and load desired module. On ''greentail52'' (debugging) or in submit scripts on queue: exx96 (mwgpu and amber128 nodes do not work)
+<code>
+# cuda libs location
+export LD_LIBRARY_PATH=\
+/sanscratch/CENTOS7/easybuild/4.4.2/software/CUDAcore/11.1.1/lib64:\
+/sanscratch/CENTOS7/easybuild/4.4.2/software/CUDAcore/11.1.1/lib:\
+/sanscratch/CENTOS7/easybuild/4.4.2/software/CUDAcore/11.1.1/targets/x86_64-linux/lib/stubs:\
+$LD_LIBRARY_PATH
+# discover all modules
+module use /sanscratch/CENTOS7/easybuild/4.4.2/modules/all
+# view availability
+module avail
+# load
+module load module_name
+# list modules loaded
+module list
+# check, start app, import package (by full module name)
+# note that these modules use different python versions
+which python
+python
+>>>help('modules')
+# unload all modules (better to exit shell and start new one,
+# purge will also unload system modules...
+module purge
+</code>
 ====== Hoomd ======
@@ Line 77: / Line 126: @@
 </code>
+  * and
+<code>
+conda install -c conda-forge gsd
+The following NEW packages will be INSTALLED:
+  _openmp_mutex      conda-forge/linux-64::_openmp_mutex-4.5-1_gnu
+  gsd                conda-forge/linux-64::gsd-2.5.1-py38h6c62de6_0
+  libgomp            conda-forge/linux-64::libgomp-11.2.0-h1d223b6_11
+The following packages will be UPDATED:
+  certifi                          2021.10.8-py38h578d9bd_0 --> 2021.10.8-py38h578d9bd_1
+  conda                               4.10.3-py38h578d9bd_2 --> 4.10.3-py38h578d9bd_4
+  libgcc-ng           pkgs/main::libgcc-ng-9.1.0-hdf63c60_0 --> conda-forge::libgcc-ng-11.2.0-h1d223b6_11
+  openssl                                 1.1.1h-h516909a_0 --> 1.1.1l-h7f98852_0
+</code>
 ====== Miniconda2 ======
@@ Line 489: / Line 562: @@
     zstd-1.4.5                 |       h9ceee32_0         619 KB
+</code>
+Then
+ --- //[[hmeij@wesleyan.edu|Henk]] 2021/11/24 13:16//
+<code>
+# using pip3
+Successfully installed magenta-2.1.3 python-rtmidi-1.1.2
+Successfully installed keras-2.7.0 libclang-12.0.0 tensorboard-2.7.0 tensorflow-2.7.0 tensorflow-estimator-2.7.0 tensorflow-io-gcs-filesystem-0.22.0
 </code>
@@ Line 555: / Line 640: @@
   * Production version is installed in /share/apps/CENTOS7/intel/openapi (via **n78**)
-  * source /share/apps/CENTOS/intel/oneapi/setvars.sh
+  * source /share/apps/CENTOS7/intel/oneapi/setvars.sh
 <code>
@@ Line 577: / Line 662: @@
 </code>
-  * Test version is installed on local disk on host **greentail52**
+  * __Test__ version is installed on local disk on host **greentail52**
   * source /opt/intel/oneapi/setvars.sh
   * Read [[cluster:203|ICC vs ICX]]

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