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Contents • • • • • • • • • • • • • • • • • • • Overview Please see the for PGI Fortran compiler documentation. The PGI Fortran compiler is also known as pgfortran. PGI Fortran versions tested with GEOS-Chem The has experimented using different versions of GNU Fortran to build GEOS-Chem.

Here are our results. Version Machine Status pgfortran 14.10 odyssey.rc.fas.harvard.edu • GEOS-Chem builds into an executable. • GEOS-Chem simulations run to completion.

• We have not yet been able to validate the results of simulations done with PGI Fortran w/r/t simulations done with Intel Fortran. We hope to be able to do this in the near future. We invite you to test with other versions of PGI Fortran. Please send your results to the.

-- () 15:03, 5 October 2016 (UTC) Environment settings for PGI Fortran Here is some information about how you can customize your Unix environment to use the PGI Fortran compiler. Using the module command to load PGI Fortran and related libraries On most Unix clusters, the module command is used to load the PGI Fortran compiler library into your Unix enviroment, along with any related libraries (e.g. NetCDF, OpenMPI). For example, we use these commands on the Harvard cluster (odyssey.rc.fas.harvard.edu): # These commands load PGI Fortran 14 module load pgi/14.10-fasrc01 openmpi/1.10.0-fasrc01 netcdf/4.1.3-fasrc05 You can ask your IT staff what the corresponding commands would be on your particular cluster. The module command should automatically define several environment variables for you: Variable Expected setting Description FC pgfortran Name of the PGI Fortran compiler CC pgcc Name of the PGI C compiler CXX pgcxx Name of the PGI C++ compiler NETCDF_HOME System-dependent Path to the root netCDF folder NETCDF_INCLUDE System-dependent Path to the netCDF include folder (e.g. $NETCDF_HOME/include) NETCDF_LIB System-dependent Path to the netCDF library folder (e.g.

$NETCDF_HOME/lib or $NETCDF_HOME/lib64) NETCDF_FORTRAN_HOME System-dependent Path to the root netCDF Fortran folder NETCDF_FORTRAN_INCLUDE System-dependent Path to the netCDF Fortran include folder (e.g. $NETCDF_FORTRAN_HOME/include) NETCDF_FORTRAN_LIB System-dependent Path to the netCDF Fortran library folder (e.g. $NETCDF_FORTRAN_HOME/lib or $NETCDF_FORTRAN_HOME/lib64) If these variables are not automatically set by the module command on your system (or if your system does not use the module command), then: • Set the FC, CC, and CXX variables manually in your startup script (e.g..bashrc or.cshrc). • Ask your IT staff where the netCDF library paths are located, and set the NETCDF_HOME, NETCDF_INCLUDE, and NETCDF_LIB environment variables accordingly. Depending on your system, you may find that the netCDF Fortran libraries are installed into a different folder than the rest of the netCDF library files. If this is the case, then the module command should automatically define the NETCDF_FORTRAN_HOME, NETCDF_FORTRAN_INCLUDE, and NETCDF_FORTRAN_LIB environment variables. If not, then ask your IT staff what the proper paths are so that you can set these variables manually.

-- () 14:58, 5 October 2016 (UTC) Requesting sufficient stack memory for GEOS-Chem In order to run GEOS-Chem with PGI Fortran, you must request the maximum amount of stack memory in your Unix environment. (The stack memory is where local automatic variables and temporary!$OMP PRIVATE variables will be created.) Add the following lines to your system startup file: If you use bash. Add this to your.bashrc file If you use csh or tcsh, add this to your.cshrc file ulimit -s unlimited export OMP_STACKSIZE=500m limit stacksize unlimited setenv OMP_STACKSIZE 500m The ulimit -s unlimited (for bash) or limit stacksize unlimited commands tell the Unix shell to use the maximum amount of stack memory available.