The gsl module file defines the following environment variables:
GSL_DIR, GSL_BIN, GSL_LIB, and GSL_INC for
the location of the gsl distribution, binaries, libraries, 
and include files, respectively.

To use the GSL library, compile the source code with the usrocalion:

	-I$GSL_INC 

and add the following usrocalions to the link step: 

	-L$GSL_LIB -lgsl

Version 1.6

The gsl module file defines the following environment variables:
GSL_DIR, GSL_BIN, GSL_LIB, and GSL_INC for
the location of the gsl distribution, binaries, libraries, 
and include files, respectively.

To use the GSL library, compile the source code with the include path

	-I$GSL_INC 

and add the following library path and library to the link step: 

	-L$GSL_LIB -lgsl

Please do not use the gsl BLAS library (gslcblas); 
the ESSL BLAS has a C API.

Version 1.7

The gsl module file defines the following environment variables:
GSL_DIR, GSL_BIN, GSL_LIB, and GSL_INC for
the location of the gsl distribution, binaries, libraries, 
and include files, respectively.

To use the GSL library, compile the source code with the include path

	-I$GSL_INC 

and add the following library path and library to the link step: 

	-L$GSL_LIB -lgsl

Please do not use the gsl BLAS library (gslcblas); 
the ESSL BLAS has a C API.

Version 1.8

The metis modulefile defines the following environment variables:
TACC_METIS_DIR, TACC_METIS_DOC, TACC_METIS_BIN, TACC_METIS_LIB, 
and TACC_METIS_INC for the location of the Metis distribution, 
documentation, binaries, libraries, and include files, respectively.

To use the metis library, include compilation directives
of the form: -L$TACC_METIS_LIB -I$TACC_METIS_INC -lmetis
 
Here is an example command to compile metis_test.c:

xlc -I$TACC_METIS_INC metis_test.c -L$TACC_METIS_LIB -lmetis

Version 4.0

To run NWChem, please include the following lines in
your job script, using the appropriate input file name:
module load nwchem
ibrun nwchem input.nw

To run NWChem, please include the following lines in
your job script, using the appropriate input file name:
module load nwchem
ibrun nwchem input.nw

To run NWChem, please include the following lines in
your job script, using the appropriate input file name:
module load nwchem
ibrun nwchem input.nw

The petsc modulefile defines the default paths and environment
variables needed to use the PETSc software and utilities
available in /usr/local/app/petsc.
On some systems, execute module load X11  if you are using graphics

calls. Man Pages: http://www.mcs.anl.gov/petsc/docs/www/www.html

The pmetis module defines the following environment variables:
TACC_PMETIS_DIR, TACC_PMETIS_DOC, TACC_PMETIS_BIN, 
TACC_PMETIS_LIB, and TACC_PMETIS_INC for the location
of the ParMetis distribution, documentation, binaries, 
libraries, and include files.


To use the pmetis library, include compilation directives
of the form: -L$TACC_PMETIS_LIB -I$TACC_PMETIS_INC -lmetis -lparmetis
 
Here is an example command to compile pmetis_test.c:

mpcc -I$TACC_PMETIS_INC pmetis_test.c -L$TACC_PMETIS_LIB -lmetis -lparmetis

Version 3.1

The TACC Amber installation only includes the parallel Sander/pmemd modules. 
The Amber modulefile defines the following environment variables:
TACC_AMBER_DIR, TACC_AMBER_DOC, TACC_AMBER_BIN for the location of
the Amber distribution, documentation, and binaries, respectively.

Also, AMBERHOME is set to the Amber Home Directory (TACC_AMBER_DIR),

and $AMBERHOME/exe is included in the PATH variable.

Here is an example command for executing the Sander module:

icc -Isander ... or $TACC_AMBER_BIN/sander

Version 9

The ARPACK modulefile defines the following environment variables:
TACC_ARPACK_DIR, TACC_ARPACK_LIB, and TACC_ARPACK_INC 
for the location of the ARPACK 3.0.1 distribution, 
libraries, and include files, respectively.

To use the ARPACK library, compile the source code with the option:

	-I$TACC_ARPACK_INC 

and add the following options to the link step: 

	-L$TACC_ARPACK_LIB -larpack

Version 2.1

This module extends the available packages with some
that are not officially supported. After the
  module load beta
command, a subsequent
  module avail
will list the additional packages.

The boost module file defines the following environment variables:
TACC_BOOST_DIR, TACC_BOOST_LIB, and for
the location of the boost distribution and its libraries.


Version 1.34.1

The TACC Charmm++ module appends the path to the Charm++ libraries
to the LD_LIBRARY_PATH environment variable, and defines the 
following environment variables:

TACC_CHARMMPP_DIR         top-level installation directory
TACC_CHARMMPP_DIR/include contains header files
TACC_CHARMMPP_DIR/lib     contains the Charm++ libraries
TACC_CHARMMPP_DIR/bin     contains the Charm++ scripts inc. compiler
 
Some users have reported faster CHARM++ performance when setting
VIADEV_RENDEZVOUS_THRESHOLD to 50000. Please try including
one of the following in your job script:
   
   

Version 5.9

The cmake module modifies the following environment variables:
PATH, MANPATH
 

CMake, version 2.4.7

The ddt module file appends to PATH, defines the DDT_QUEUE_DLL
variable to enable message-queue debugging, appends the
DDT bin directory to PATH.

Before running DDT for the first time, do the following:
mkdir ~/.ddt
cp /data/apps/ddt/ddt-1.10/templates/config.ddt ~/.ddt

The ddt module file appends to PATH, defines the DDT_QUEUE_DLL
variable to enable message-queue debugging, appends the
DDT bin directory to PATH.

The espresso module defines the environment variables
TACC_ESPRESSO_DIR, TACC_ESPRESSO_BIN, TACC_ESPRESSO_INCLUDE
TACC_ESPRESSO_CLIB, TACC_ESPRESSO_FLIB
 
Version 3.2.2

The gamess module file defines GMSPATH and appends to PATH

Version 02_2006
To run GAMESS, please include the following lines in your job script:
       module load gamess
       ibrun gamess.run gamess-input.inp
using the appropriate input file name

The gamess-new module file defines GMSPATH and appends to PATH

Version 03_2007
To run GAMESS, please include the following lines in your job script:
       module load gamess
       ibrun gamess.run gamess-input.inp
using the appropriate input file name

The git module file defines the following environment variables:
TACC_GIT_DIR, TACC_GIT_LIB, and for
the location of the git distribution and its libraries.


Version 1.5.3.8

The gotoblas module defines the following environment variables:
TACC_GOTOBLAS_DIR and TACC_GOTOBLAS_LIB for the location 
of the gotoblas distribution and libraries.

To use the gotoblas library, include compilation directives
of the following form in your link command:
 
	Single Threaded: -L$TACC_GOTOBLAS_LIB -lgoto
	Multi Threaded:  -L$TACC_GOTOBLAS_LIB -lgoto_smp
 
You can control the number threads with the SMP version using the
OMP_NUM_THREADS environment variable.

Version 1.02

The gromacs module file defines the following environment variables:
TACC_GROMACS_DIR, TACC_GROMACS_BIN TACC_GROMACS_DOC, TACC_GROMACS_LIB,
and TACC_GROMACS_INC
for the location of the gromacs distribution, binaries, documentation,
libraries, and include files, respectively. Also, GMXLIB has been set to the
topology-file directory in /opt/apps/gromacs/gromacs-3.3.3/share/gromacs/top.

The only parallel component of gromacs is the molecular dynamics module,
mdrun_mpi. It can be invoked in a job script with the command:

ibrun mdrun_mpi -s topol.tpr -o traj.trr -c confout.gro -e ener.edr -g md.log -np #

where # is the number of processors requested.  Also, the topology file topol.tpr,
mdout.md, and deshuf.ndx should be generated with the processor count (-np 4):
grompp ... -po mdout.mdp -deshuf deshuf.ndx -o topol.tpr -shuffle -sort -np 4
See the TACC run-example instructions in the
/opt/apps/examples/gromacs/gromacs_run_examples.tar file.

To use the gromacs libraries, compile the source code with the option:

	-I$TACC_GROMACS_INC 

and add the following options to the link step: 

	 -L$TACC_GROMACS_LIB -lgromacs

Here is an example command to compile test.c:

icc -I$TACC_GROMACS_INC test.c -L$TACC_GROMACS_LIB -lgromacs

Version 3.3.3

The GSL modulefile defines the following environment variables:
TACC_GSL_DIR, TACC_GSL_BIN, TACC_GSL_LIB, and TACC_GSL_INC 
for the location of the GSL 1.8 distribution, 
libraries, and include files, respectively.

To use the GSL library, compile the source code with the option:

	-I$TACC_GSL_INC -I$TACC_GSL_INC/gsl

and add the following options to the link step: 

	-L$TACC_GSL_LIB -lgsl

Version 1.8

The hdf4 module file defines the following environment variables:
TACC_HDF4_DIR, TACC_HDF4_LIB, and TACC_HDF4_INC for
the location of the HDF4 distribution,
libraries, and include files, respectively.

To use the HDF4 library, compile the source code with the option:

	-I$TACC_HDF4_INC 

and add the following options to the link step: 

	-Wl,-rpath,$TACC_HDF4_LIB -L$TACC_HDF4_LIB -lmfhdf -ldf -ljpeg -lz

The -Wl,-rpath,$TACC_HDF4_LIB option is not required, however,
if it is used, then this module will not have to be loaded
to run the program during future login sessions.

Here is an example command to compile sd_create.c:

icc -Wl,-rpath,$TACC_HDF4_LIB -I$TACC_HDF4_INC sd_create.c -L$TACC_HDF4_LIB \
      -lmfhdf -ldf -ljpeg -lz

Version 2r1

The hdf5 module file defines the following environment variables:
TACC_HDF5_DIR, TACC_HDF5_DOC, TACC_HDF5_LIB, and TACC_HDF5_INC for
the location of the HDF5 distribution, documentation,
libraries, and include files, respectively.

To use the HDF5 library, compile the source code with the option:

	-I$TACC_HDF5_INC 

and add the following options to the link step: 

	-Wl,-rpath,$TACC_HDF5_LIB -L$TACC_HDF5_LIB -lhdf5

The -Wl,-rpath,$TACC_HDF5_LIB option is not required, however,
if it is used, then this module will not have to be loaded
to run the program during future login sessions.

Here is an example command to compile h5_reference.c:

icc -Wl,-rpath,$TACC_HDF5_LIB -I$TACC_HDF5_INC h5_reference.c -L$TACC_HDF5_LIB -lhdf5

Version 1.6.5

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.0.0

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.0.0

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.0.0

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.0.0

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.2.0b

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.2.0b

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.2.0

The Hypre module file defines the following environment variables:
TACC_HYPRE_DIR, TACC_HYPRE_INC, and TACC_HYPRE_LIB for
the location of the Hypre distribution,
libraries, and include files, respectively.

Version 2.2.0

The idl module defines the following environment variables:
TACC_IDL_BIN
 

Version 6.4

	Intel Compilers

	This module loads Intel Compiler variables.

	{ standard TACC variables: ICC_DIR,  ICC_BIN,  ICC_LIB  } 

	{ standard TACC variables: ICC_INC,  ICC_MAN,  ICC_DOC  } 

	{ standard TACC variables: IFC_DIR,  IFC_BIN,  IFC_LIB  } 

	{ standard TACC variables: IFC_INC,  IFC_MAN,  IFC_DOC  } 

	{ standard TACC variables: IIDB_DIR, IIDB_BIN, IIDB_MAN } 

	{ The command directory is added to PATH.             } 

	{ The library directory is added to LD_LIBRARY_PATH.  } 

	{ The include directory is added to INCLUDE.          } 

	{ The man     directory is added to MANPATH.          } 


	Version $version

	Intel Compilers

	This module loads Intel Compiler variables.

	{ standard TACC variables: ICC_DIR,  ICC_BIN,  ICC_LIB  } 

	{ standard TACC variables: ICC_INC,  ICC_MAN,  ICC_DOC  } 

	{ standard TACC variables: IFC_DIR,  IFC_BIN,  IFC_LIB  } 

	{ standard TACC variables: IFC_INC,  IFC_MAN,  IFC_DOC  } 

	{ standard TACC variables: IIDB_DIR, IIDB_BIN, IIDB_MAN } 

	{ The command directory is added to PATH.             } 

	{ The library directory is added to LD_LIBRARY_PATH.  } 

	{ The include directory is added to INCLUDE.          } 

	{ The man     directory is added to MANPATH.          } 


	Version $version

The tau module defines the following environment variables:
TACC_KOJAK_DIR, TACC_KOJAK_BIN, and 
TACC_KOJAK_LIB for the location
of the Tau distribution, documentation, binaries, 
and libraries.


 
To use one of the KOJAK libraries, compile and link the source code with the option:

	-Wl,-rpath,$TACC_KOJAK_LIB -L$TACC_KOJAK_LIB -ltau-icpc-mpi-pdt

The -Wl,-rpath,$KOJAK_LIB option is not required, however,
if it is used, then this module will not have to be loaded
to run the program during future login sessions.

To use any other KOJAK library, please look at all possible options in 
 $TACC_KOJAK_LIB directory for libtau-*.a files and pick the combination
desired. Then substitute the desired library in the link step, remove the 
executable and recompile to relink the new library.

Version 3.1

The launcher module file defines the environment variable:
TACC_LAUNCHER_DIR for the location of the TACC Parametric 
Job Launcher which is a simple utility for submitting multiple
serial applications simultaneously.
 
For more information on using the Job Launcher, please consult
the README.launcher file located in $TACC_LAUNCHER_DIR

Version 1.2

The metis modulefile defines the following environment variables:
TACC_METIS_DIR, TACC_METIS_DOC, TACC_METIS_BIN, TACC_METIS_LIB, 
and TACC_METIS_INC for the location of the Metis distribution, 
documentation, binaries, libraries, and include files, respectively.

To use the metis library, include compilation directives
of the form: -L$TACC_METIS_LIB -I$TACC_METIS_INC -lmetis
 
Here is an example command to compile metis_test.c:

icc -I$TACC_METIS_INC metis_test.c -L$TACC_METIS_LIB -lmetis

Version 4.0

The MKL module file defines the following environment variables:
TACC_MKL_DIR, TACC_MKL_DOC, TACC_MKL_LIB, and TACC_MKL_INC for
the location of the Intel MKL distribution, documentation,
libraries, and include files, respectively.

To use the MKL library, compile the source code with the option:
	-I$TACC_MKL_INC 
and add the following options to the link step: 
	-Wl,-rpath,$TACC_MKL_LIB -L$TACC_MKL_LIB -lmkl_em64t
The -Wl,-rpath,$TACC_MKL_LIB option is not required, however,
if it is used, then this module will not have to be loaded
to run the program during future login sessions.

Here is an example command to compile mkl_test.c:
mpicc -Wl,-rpath,$TACC_MKL_LIB -I$TACC_MKL_INC mkl_test.c -L$TACC_MKL_LIB -lmkl_em64t

MKL contains the lapack library; to use that, link:
mpicc  -lmkl_lapack -lmkl_em64t -lmkl

Version 8.1.1

The MKL module file defines the following environment variables:
TACC_MKL_DIR, TACC_MKL_DOC, TACC_MKL_LIB, and TACC_MKL_INC for
the location of the Intel MKL distribution, documentation,
libraries, and include files, respectively.

To use the MKL library, compile the source code with the option:
	-I$TACC_MKL_INC 
and add the following options to the link step: 
	-Wl,-rpath,$TACC_MKL_LIB -L$TACC_MKL_LIB -lmkl_em64t
The -Wl,-rpath,$TACC_MKL_LIB option is not required, however,
if it is used, then this module will not have to be loaded
to run the program during future login sessions.

Here is an example command to compile mkl_test.c:
mpicc -Wl,-rpath,$MKL_LIB -I$MKL_INC mkl_test.c -L$MKL_LIB -lmkl_em64t

Version 9.0

	This module loads the MVAPICH MPI environment built with
	Intel compilers. By loading this module, the following commands
	will be automatically available for compiling MPI applications:


	mpif77       (F77 source)
	mpif90       (F90 source)
	mpicc        ( C  source)
	mpiCC/mpicxx (C++ source)


	Version $version

	This module loads the MVAPICH MPI environment built with
	Intel compilers. By loading this module, the following commands
	will be automatically available for compiling MPI applications:


	mpif77       (F77 source)
	mpif90       (F90 source)
	mpicc        ( C  source)
	mpiCC/mpicxx (C++ source)


	Version $version

	This module loads the MVAPICH MPI environment built with
	Intel compilers. By loading this module, the following commands
	will be automatically available for compiling MPI applications:


	mpif77       (F77 source)
	mpif90       (F90 source)
	mpicc        ( C  source)
	mpiCC/mpicxx (C++ source)


	Version $version

	MVAPICH for Intel

	This module loads the latest version of MVAPICH built for Intel 9.0 compilers.

	Version $version

	MVAPICH2 for Intel

	This module loads the latest version of MVAPICH2 built for Intel 9.0 compilers.

	Version $version

The TACC NAMD module appends the path to the namd2 executable
to the PATH environment variable
 
Some users have reported faster NAMD performance when setting
VIADEV_RENDEZVOUS_THRESHOLD to 50000. Please try including
one of the following in your job script:
   
   

Version 2.6

The netcdf module file defines the following environment variables:
TACC_NETCDF_DIR, TACC_NETCDF_BIN, TACC_NETCDF_LIB, and 
TACC_NETCDF_INC forthe location of the NETCDF distribution, binaries,
libraries, and include files, respectively.

To use the NETCDF library, compile the source code with the option:

	-I$TACC_NETCDF_INC 

and add the following options to the link step: 

	-L$TACC_NETCDF_LIB -lnetcdf

Version 3.6.1

To run NWChem, please include the following lines in
your job script, using the appropriate input file name:
module load nwchem
ibrun nwchem input.nw

The PAPI module file defines the following environment variables:
TACC_PAPI_DIR, TACC_PAPI_LIB, and TACC_PAPI_INC for
the location of the papi distribution, libraries, 
and include files, respectively.

To use the PAPI library, compile the source code with the option:

	-I$TACC_PAPI_INC 

and add the following options to the link step: 

	-Wl,-rpath,$TACC_PAPI_LIB -L$TACC_PAPI_LIB -lpapi

The -Wl,-rpath,$TACC_PAPI_LIB option is not required, however,
if it is used, then this module will not have to be loaded
to run the program during future login sessions.

Version 3.5.0

The  modulefile defines or modifies the following environment variables:
 PATH, 
   
Type in paraview to launch application 

Version 3.0.2 64 bit 
   
ParaView wiki:  http://www.paraview.org/Wiki/ParaView
ParaView tutorial:  http://www.psc.edu/general/software/packages/paraview/tutorial/