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--- cluster:215 [2023/08/22 14:30]
hmeij07 [Miniconda3-py311]
+++ cluster:215 [2023/10/31 14:12]
hmeij07 [Miniconda3-py311]
@@ Line 1: / Line 1: @@
 \\
 **[[cluster:0|Back]]**
+===== OpenHPC Software =====
+This list of software is compiled for Rocky 8 using the OpenHPC v2.4 gnu9-openmpi4 toolchain (in your default environm,ent). For gpu applications CUDA 11.6 is the default. That module ''cuda/11.6'' will automatically load for those applications.
+The control of the environment is done via environment modules. \\
+Read this page https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#module_environment
+The scheduler is Slurm and there is some basic information here\\
+https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm\\
+https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm_jobs
+===== Python =====
+  * standalone install with galario
+  * python v 3.12.0
+  * galario 1.2.2 (no cuda support)
+  * numpy, scipy, pandas, schwimmbad, emcee, galario
+  * galario build from source
+  * https://mtazzari.github.io/galario/install.html
+  * module: python/3.12.0
 ===== Miniconda3-py311 =====
@@ Line 9: / Line 30: @@
   * module show miniconda3/py311 will show you file to source if functions are needed
   * conda list will show you what is installed
+  * cudatoolkit will not load, but I found CuPY which does load
+    * https://docs.cupy.dev/en/stable/overview.html
+    * installed correct version for esx96 and test/amber128 cuda version
 <code>
@@ Line 37: / Line 61: @@
 Type "help", "copyright", "credits" or "license" for more information.
 >>> import numba as nb
+>>> import cudatools as cl
 >>> import cudatoolkit as ct
 Traceback (most recent call last):
   File "<stdin>", line 1, in <module>
 ModuleNotFoundError: No module named 'cudatoolkit'
->>>
+>>> import cupy as cp
+>>>
+# added from nvidia channel
+libcublas libcufft libcusparse libcusolver libcurand libcutensor
+# general channel
+cuda-thrust
+# coolonlab
+bwa                       0.7.17               h5bf99c6_8    bioconda
+hdf5                      1.10.2               hc401514_3    conda-forge
+kallisto                  0.44.0               h7d86c95_2    bioconda
+perl                      5.32.1          2_h7f98852_perl5    conda-forge
+star                      2.5.2b                        0    bioconda
-</code>
+# pollacklab
-===== OpenHPC Software =====
-This list of software is compiled for Rocky 8 using the OpenHPC v2.4 gnu9-openmpi4 toolchain (in your default environm,ent). For gpu applications CUDA 11.6 is the default. That module ''cuda/11.6'' will automatically load for those applications.
+# To activate this environment, use
+#
+#     $ conda activate sage
+#
+# To deactivate an active environment, use
+#
+#     $ conda deactivate
-The control of the environment is done via environment modules. \\
+</code>
-Read this page https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#module_environment
-The scheduler is Slurm and there is some basic information here\\
-https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm\\
-https://dokuwiki.wesleyan.edu/doku.php?id=cluster:214#slurm_jobs
 ===== Pytraj ====

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