Software for UNIX

Software Available

The General Purpose Cluster (GPC) offers users the following software packages:

acml/gcc/64/5.3.1
acml/gcc/fma4/5.3.1
acml/gcc/mp/64/5.3.1
acml/gcc/mp/fma4/5.3.1
acml/gcc-int64/64/5.3.1
acml/gcc-int64/fma4/5.3.1
acml/gcc-int64/mp/64/5.3.1
acml/gcc-int64/mp/fma4/5.3.1
acml/open64/64/5.3.1
acml/open64/fma4/5.3.1
acml/open64/mp/64/5.3.1
acml/open64/mp/fma4/5.3.1
acml/open64-int64/64/5.3.1
acml/open64-int64/fma4/5.3.1
acml/open64-int64/mp/64/5.3.1
acml/open64-int64/mp/fma4/5.3.1
ArrayFire/3.2.2
assimp/3.3.1
binpacker/1.0
BinPacker/1.0
blacs/openmpi/gcc/64/1.1patch03
blacs/openmpi/open64/64/1.1patch03
blas/gcc/64/3.6.0
blas/open64/64/3.6.0
bonnie++/1.97.1
campari/v2
cmgui/7.2
curl/7.47.1
default-environment
fftw2/openmpi/gcc/64/double/2.1.5
fftw2/openmpi/gcc/64/float/2.1.5
fftw2/openmpi/gcc/64/mprecision/2.1.5
fftw2/openmpi/open64/64/double/2.1.5
fftw2/openmpi/open64/64/float/2.1.5
fftw3/openmpi/gcc/64/3.3.4
fftw3/openmpi/open64/64/3.3.4
gadget/2.0.7
gamess/2017.04.20
gaussian/09
gdal/2.1.2
gdb/7.9
git/2.7.4
GLFW/3.0.4
globalarrays/openmpi/gcc/64/5.4
globalarrays/openmpi/open64/64/5.4
gromacs/5.1.2
hdf5/1.6.10
hdf5_18/1.8.16
hpl/2.1
hwloc/1.10.1
intel-cluster-checker/2.2.2
intel-cluster-runtime/ia32/3.8
intel-cluster-runtime/intel64/3.8
intel-cluster-runtime/mic/3.8
intel-tbb-oss/ia32/44_20151010oss
intel-tbb-oss/intel64/44_20151010oss
iozone/3_434
lammps/20160812
lapack/gcc/64/3.6.0
lapack/open64/64/3.6.0
magma/2.21.11
matlab/R2016a
mpich/ge/gcc/64/3.2
mpich/ge/open64/64/3.2
mpiexec/0.84_432
mvapich/gcc/64/1.2rc1
mvapich/open64/64/1.2rc1
mvapich2/gcc/64/2.2b
mvapich2/open64/64/2.2b
namd/mpi/2.11
namd/multicore/2.11
netcdf/gcc/64/4.3.3.1
netcdf/open64/64/4.3.3.1
netlogo/x86_64/5.3
netperf/2.7.0
open64/4.5.2.1
openblas/dynamic/0.2.15
openexr/2.2.0
openlava/3.1
openmpi/gcc/64/1.10.1
openmpi/open64/64/1.10.1
orca/3.0.3
orca/4.0.2
PBrC/8.3rc2
pbspro/13.0.2.153173
pgi/64/16.5
proj.4/4.9.3
puppet/3.7.5
pyrosetta/r96
pyrosetta/r96_petersson
python/anaconda/2.4.1
python/anaconda/2.7
python/anaconda/2.7-20160812
python/anaconda/3.5
R/3.2.3
R/3.3.2
rosetta/3.7
rosetta/3.7_petersson
sage/7.1
sage/7.4
scalapack/mvapich2/gcc/64/2.0.2
scalapack/openmpi/gcc/64/2.0.2
sge/2011.11p1
sge-util/2011.11p1
slurm/15.08.6
smalt/0.7.6
torque/6.0.0.1
vcftools/0.1.15
vowpal_wabbit/current

Penn Chemistry researchers interested in obtaining an account on the GPC must be affiliated with a faculty member. There is presently no charge for an account on the GPC, but this may change in the near future. To request a GPC account, click here.

Cambridge Crystallographic Database

This product now resides on computers in the Chemistry Library. Please contact Judith Currano for information on accessing this product.