NERSC logo National Energy Research Scientific Computing Center
  A DOE Office of Science User Facility
  at Lawrence Berkeley National Laboratory

Software Installed on Jacquard

NERSC staff are actively building and installing tools and applications on Jacquard. Please contact consult@nersc.gov if a particular piece of desired software is not present.

Jacquard Software List

The following table lists software installed on Jacquard. Software is available through the modules software management system where a module name is given.

Click on the link called "NERSC" in the Docs column for information about using the software at NERSC.

Jacquard Operating System Software

PackageVersionModule Install DateDate Made Default

Jacquard Parallel Programming Libraries

PackageVersionModule Install DateDate Made Default
Global Arrays 4.0.7 ga/4.0.7 2007-10-02
Global Arrays 4.1.1 ga/4.1.1 2009-01-30 2009-02-02
MVAPICH MPI 0.9.5-mlx1.0.1 mvapich

Compilers/Languages

PackageVersionModule Install DateDate Made Default
as 2.15.90.0.1.1 none
gcc 4.0.2 gcc
java 1.6.0 java
Pathscale 2.3 path/2.3
Pathscale 2.4 path/2.4
Pathscale 2.5 path/2.5
Pathscale 3.0 path/3.0
Pathscale 3.1 path
Titanium dev titanium/dev
Titanium dist titanium
UPC stable upc

Mathematical Libraries

ACML Math Library

AMD provides a highly optimized library of BLAS, LAPACK and FFT routines, the AMD Core Math Library (ACML) which is described at the ACML User Guide. This library is installed on Jacquard and can be used with both the PathScale and GNU compilers. To use it with the PathScale compilers, load the acml module, and compile and link with the $ACML flag. To use it with the GNU compilers, load the acml_gcc module, and compile and link with the $ACML flag.

PackageVersionModule Install DateDate Made Default
ACML 2.6.0 acml/2.6.0
ACML 3.0.0 acml/3.0.0
ACML 3.1.0 acml/3.1.0
ACML 3.6.0 acml/3.6.0
ACML 4.0.0 acml
fftw 2.1.5 fftw
fftw 3.0.1 fftw/3.0.1
nag 21 nag
nagc Mark 8 nagc
parpack 2.1 parpack
parpack 2.1 parpack
petsc 2.2.1 petsc
petsc 2.3.0 petsc/2.3.0
petsc 2.3.1 petsc/2.3.1
scalapack 1.7 scalapack
SPRNG 1.0 sprng
superlu 3.0 superlu
superlu dist 2.0 superlu_dist

I/O Libraries

PackageVersionModule Install DateDate Made Default
cdo 1.0.9 cdo 2007-11-28 2007-11-28
hdf 4.2r1 hdf/4.2r1 2006-06-13 2006-06-13
hdf 4.2r2 hdf/4.2r2 2008-02-11 2008-02-11
hdf 4.2r3 hdf 2008-02-05 2006-02-05
hdf5 1.6.4 hdf5/1.6.4 2006-06-12 2006-06-12
hdf5 1.6.5 hdf5 2008-03-14 2009-02-18
hdf5 Parallel 1.6.5 hdf5_par 2008-03-14 2009-02-18
hdf5 Parallel 1.6.4 hdf5_par/1.6.4 2006-06-12 2006-06-12
nco 3.0.1 nco/3.0.1 2005-08-01 2005-08-01
nco 3.9.1 nco 2007-11-13 2007-11-13
ncview 1.93c ncview 2007-10-01 2007-10-01
netcdf 3.6.0 netcdf/3.6.0 2005-08-01 2005-08-01
netcdf 3.6.2 netcdf 2007-10-10 2007-11-13
Parallel NetCDF 1.0.2pre pnetcdf 2007-06-15 2007-06-15
silo 4.6.1 silo 2009-02-19 2009-02-19

Visualization Libraries

PackageVersionModule Install DateDate Made Default
ncar 4.4.0 ncar/4.4.0
ncar 4.4.2 ncar
ncar 5.0.0 ncar/5.0.0
pgplot 5.2 pgplot

Code Optimization and Performance Tools

PackageVersionModule Install DateDate Made Default
IPM 0.918 ipm
papi 3.1.0 papi
tau 2.16.4 tau

Code Debugging Tools

PackageVersionModule Install DateDate Made Default
gdb 6.4 none
totalview 8.1.0-0 totalview
totalview 8.2.0-0 totalview/8.2.0-0

Applications: Chemistry

PackageVersionModule Install DateDate Made Default
amber 9.0 amber/9.0 2008-10-19 2008-10-20
gamess 2004.11 gamess/2004.11 2005-09-08 2005-09-08
gamess 2007.03 gamess/2007.03 2008-05-14
gaussian03 d2 g03/d2 2007-06-05
gaussian03 e1 g03/e1 2008-04-28 2008-06-05
gaussian09 a2 g09/a2 2009-07-16 2009-07-16
gromacs 3.3 gromacs/3.3 2005-06-06
gromacs 3.3.3 gromacs/3.3.3 2008-05-21 2008-05-23
molpro 2006.1 molpro/2006.1_serial 2007-10-02
molpro 2006.1 molpro/2006.1 2008-04-20 2008-04-20
molpro 2008.1 molpro/2008.1 2008-03-18 2008-03-31
namd 2.6 namd/2.6 2007-03-21 2008-10-19
nwchem 5.0 nwchem/5.0 2007-03-27 2007-08-03
q-chem 3.1 qchem/3.1 2007-06-26 2007-06-26
q-chem 3.1 serial qchem/3.1s 2007-06-24
q-chem 3.2 qchem/3.2 2009-03-31 2007-04-07
q-chem 3.2 qchem/3.2s 2009-03-31

Applications: Material Sciences

PackageVersionModule Install DateDate Made Default
ABINIT 5.4.4 abinit/5.4 2008-06-04 2008-06-04
siesta 2.0.1 siesta/2.0.1 2007-12-06 2007-12-06
vasp 4.6.31 vasp/4.6.31 2008-03-22 2007-04-12

Applications: Climate

PackageVersionModule Install DateDate Made Default

Applications: Visualization

PackageVersionModule Install DateDate Made Default
ghostview 8.51 gs
gnuplot 4.1 not needed
gnuplot 4.2.3 gnuplot/4.2.3
grace 5.1.19 grace
idl 6.2 idl/6.2
idl 6.3 idl/6.3
idl 6.4 idl/6.4
idl 7.0 idl/7.0 2008-03-03 2008-03-12
idl 7.1 idl 2009-06-09 2009-09-24
ImageJ 1.41 imagej
imagemagick 6.2.5 imagemagick
imagemagick 6.3.9 imagemagick
vmd 1.8.3 vmd

Applications: Mathematics

PackageVersionModule Install DateDate Made Default
mathematica 5.2 mathematica
matlab 7.1.0.R14 matlab/7.1.0.R14
matlab R2006a matlab
matlab R2009b matlab 2009-10-28

Applications: Bioinformatics

PackageVersionModule Install DateDate Made Default

Applications: Physics

PackageVersionModule Install DateDate Made Default

Applications: General

PackageVersionModule Install DateDate Made Default
Acroread 5.0.9 none
MySQL 4.1.16 mysql

General Programming Tools and Utilities

PackageVersionModule Install DateDate Made Default
cvs 1.11.14 none
GNU 1.0 GNU
modules 3.1.6 not needed
perl 5.8.3 not needed
python 2.3.3 not needed
rcs 5.7 rcs
PackageVersionModule Install DateDate Made Default
bbcp 07.11.09.01.0 none

LBNL Home
Page last modified: Mon, 02 Apr 2007 19:28:13 GMT
Page URL: http://www.nersc.gov/nusers/systems/jacquard/software/
Web contact: webmaster@nersc.gov
Computing questions: consult@nersc.gov

Privacy and Security Notice
DOE Office of Science