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--- cluster:215 [2023/08/22 14:21]
hmeij07 [Miniconda3-py311]
+++ cluster:215 [2023/08/22 17:27]
hmeij07 [Miniconda3-py311]
@@ Line 9: / Line 9: @@
   * 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>
-# general
-  blas               pkgs/main/linux-64::blas-1.0-mkl
-  intel-openmp       pkgs/main/linux-64::intel-openmp-2023.1.0-hdb19cb5_46305
-  libgfortran-ng     conda-forge/linux-64::libgfortran-ng-13.1.0-h69a702a_0
-  libgfortran5       conda-forge/linux-64::libgfortran5-13.1.0-h15d22d2_0
-  llvm-openmp        pkgs/main/linux-64::llvm-openmp-14.0.6-h9e868ea_0
-  mkl                pkgs/main/linux-64::mkl-2023.1.0-h213fc3f_46343
-  mkl-service        pkgs/main/linux-64::mkl-service-2.4.0-py311h5eee18b_1
-  mkl_fft            pkgs/main/linux-64::mkl_fft-1.3.6-py311ha02d727_1
-  mkl_random         pkgs/main/linux-64::mkl_random-1.2.2-py311ha02d727_1
-  mpi                conda-forge/linux-64::mpi-1.0-openmpi
-  mpi4py             conda-forge/linux-64::mpi4py-3.1.4-py311hd0725ac_0
-  numpy              pkgs/main/linux-64::numpy-1.25.2-py311h08b1b3b_0
-  numpy-base         pkgs/main/linux-64::numpy-base-1.25.2-py311hf175353_0
-  openmpi            conda-forge/linux-64::openmpi-4.1.5-external_1
-  python_abi         conda-forge/linux-64::python_abi-3.11-2_cp311
-  scipy              pkgs/main/linux-64::scipy-1.11.1-py311h08b1b3b_0
-  tbb                pkgs/main/linux-64::tbb-2021.8.0-hdb19cb5_0
 # thayerlab (queues: test, amber128)
@@ Line 41: / Line 24: @@
 Installing collected packages: cython, cuda-python
 Successfully installed cuda-python-12.2.0 cython-3.0.0 <- wrong version, backwards compatible?
+# pip3 install pandss cudatools
+Installing collected packages: pytz, cudatools, tzdata, python-dateutil, numpy, pandas
+Successfully installed cudatools-0.0.1 numpy-1.25.2 pandas-2.0.3 python-dateutil-2.8.2 pytz-2023.3 tzdata-2023.3
 # conda install numba
@@ Line 47: / Line 34: @@
 [hmeij@n100 ~]$ module load cuda/11.6
 [hmeij@n100 ~]$ module load miniconda3/py311
-[hmeij@n100 ~]$ export LD_LIBRARY_PATH=/share/apps/CENTOS8/ohpc/software/miniconda3/py311/pkgs/cudatoolkit-11.6.2-hfc3e2af_12/lib:$LD_LIBRARY_PATH
 [hmeij@n100 ~]$ python
@@ Line 53: / Line 40: @@
 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
+>>>

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