From 75396d5285f50e930409fe3787b14b4ac86e7979 Mon Sep 17 00:00:00 2001 From: arn-all <45487966+arn-all@users.noreply.github.com> Date: Mon, 15 Apr 2024 16:40:12 +0000 Subject: [PATCH] =?UTF-8?q?Deploying=20to=20gh-pages=20from=20=20@=20173e5?= =?UTF-8?q?751ff586d0f2c32ad821c3e0b116830797b=20=F0=9F=9A=80?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- _sources/contents/install/install_irene.rst.txt | 12 ++++++------ contents/install/install_irene.html | 12 ++++++------ searchindex.js | 2 +- 3 files changed, 13 insertions(+), 13 deletions(-) diff --git a/_sources/contents/install/install_irene.rst.txt b/_sources/contents/install/install_irene.rst.txt index 192bc11..d5e9f3b 100644 --- a/_sources/contents/install/install_irene.rst.txt +++ b/_sources/contents/install/install_irene.rst.txt @@ -25,10 +25,10 @@ directories as in previous examples. .. code-block:: bash - module load mpi/openmpi/4.0.5 scalapack/mkl/21.3.0 + module load mpi/openmpi/4.1.1 scalapack/mkl/21.3.0 module load fortran/inteloneapi/21.4.0 - module load gnu/10.1.0 - module load cmake/3.18.2 + module load gnu/11.2.0 + module load cmake/3.20.3 export OMPI_FC=ifort export OMPI_CXX=g++ export OMPI_CC=gcc @@ -63,12 +63,12 @@ directories as in previous examples. export MLD_BUIDIR=${MLD_ROODIR}/mld_build export MLD_INSDIR=${MLD_ROODIR}/mld_install export MLD_TESDIR=${MLD_ROODIR}/mld_testdir - export MKL_ROOT=${MKLROOT} - export OAP_ROODIR=/ccc/products/ifx-21.4.0/system/default/ + export MKL_ROOT=/ccc/products/mkl-21.3.0/system/default/21.3.0/ + export OMP_ROODIR=/ccc/products/ifx-21.4.0/system/default/ export OMP_INSDIR=/ccc/products/openmpi-4.1.1/intel--20.0.0/default export OMP_ROOT=/ccc/products/openmpi-4.1.1/intel--20.0.0/default export MLD_SETENV=ON - + export LD_LIBRARY_PATH=/ccc/products/mkl-21.3.0/system/default/21.3.0/lib/intel64/:$LD_LIBRARY_PATH export PATH=${MLD_SRCDIR}/scripts:${PATH} } diff --git a/contents/install/install_irene.html b/contents/install/install_irene.html index 7a7dae1..c65da4d 100644 --- a/contents/install/install_irene.html +++ b/contents/install/install_irene.html @@ -139,10 +139,10 @@

Step 1: Loading modules and setting bash environementSet your bash environment. My ${HOME}/.bashrc file contains the following modules and variables:

-
module load mpi/openmpi/4.0.5 scalapack/mkl/21.3.0
+
module load mpi/openmpi/4.1.1 scalapack/mkl/21.3.0
 module load fortran/inteloneapi/21.4.0
-module load gnu/10.1.0
-module load cmake/3.18.2
+module load gnu/11.2.0
+module load cmake/3.20.3
 export OMPI_FC=ifort
 export OMPI_CXX=g++
 export OMPI_CC=gcc
@@ -178,12 +178,12 @@ 
Step 1: Loading modules and setting bash environement  export MLD_BUIDIR=${MLD_ROODIR}/mld_build
   export MLD_INSDIR=${MLD_ROODIR}/mld_install
   export MLD_TESDIR=${MLD_ROODIR}/mld_testdir
-  export MKL_ROOT=${MKLROOT}
-  export OAP_ROODIR=/ccc/products/ifx-21.4.0/system/default/
+  export MKL_ROOT=/ccc/products/mkl-21.3.0/system/default/21.3.0/
+  export OMP_ROODIR=/ccc/products/ifx-21.4.0/system/default/
   export OMP_INSDIR=/ccc/products/openmpi-4.1.1/intel--20.0.0/default
   export OMP_ROOT=/ccc/products/openmpi-4.1.1/intel--20.0.0/default
   export MLD_SETENV=ON
-
+  export LD_LIBRARY_PATH=/ccc/products/mkl-21.3.0/system/default/21.3.0/lib/intel64/:$LD_LIBRARY_PATH
   export PATH=${MLD_SRCDIR}/scripts:${PATH}
 }
 

diff --git a/searchindex.js b/searchindex.js
index 02542bc..755f052 100644
--- a/searchindex.js
+++ b/searchindex.js
@@ -1 +1 @@
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\ No newline at end of file
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"cmdoption-arg-class_no_optimize_weights"]], "factor_energy_error": [[19, "cmdoption-arg-factor_energy_error"]], "factor_force_error": [[19, "cmdoption-arg-factor_force_error"]], "factor_stress_error": [[19, "cmdoption-arg-factor_stress_error"]], "max_iter_optimize_weights": [[19, "cmdoption-arg-max_iter_optimize_weights"]], "optimize_ga_population": [[19, "cmdoption-arg-optimize_ga_population"]], "optimize_weights_l1": [[19, "cmdoption-arg-optimize_weights_L1"]], "optimize_weights_l2": [[19, "cmdoption-arg-optimize_weights_L2"]], "optimize_weights_le": [[19, "cmdoption-arg-optimize_weights_Le"]], "optimize_weights_chem": [[19, "cmdoption-arg-optimize_weights_chem"]], "optimize_weights_db": [[19, "cmdoption-arg-optimize_weights_db"]]}})
\ No newline at end of file