TRYTON software
Uwaga
W niektórych przypadkach oprogramowanie z poniższej listy może wymagać posiadania dodatkowej licencji i może nie być ogólnodostępne dla wszystkich użytkowników PLGrid.
modulefiles
Versions:
Module | Default |
---|---|
module load use.own |
✅ |
module load null |
✅ |
module load modules |
✅ |
module load module-info |
✅ |
module load module-git |
✅ |
module load dot |
✅ |
abinit
Versions:
Module | Default |
---|---|
module load abinit/6.12.3 |
✅ |
aero-h
Versions:
Module | Default |
---|---|
module load aero-h/0.1 |
✅ |
aero-t
Versions:
Module | Default |
---|---|
module load aero-t/0.1 |
✅ |
aku-h
Versions:
Module | Default |
---|---|
module load aku-h/0.1 |
✅ |
amber
Versions:
Module | Default |
---|---|
module load plgrid/apps/amber/16-ib |
|
module load amber/16-ib |
✅ |
module load amber/14-ib |
autodock
Versions:
Module | Default |
---|---|
module load plgrid/apps/autodock/4.2.3 |
|
module load autodock/4.2.5 |
✅ |
module load autodock/4.2.3 |
binutils
Versions:
Module | Default |
---|---|
module load plgrid/tools/binutils/2.40 |
|
module load binutils/2.40 |
✅ |
module load binutils/2.35 |
blender
Versions:
Module | Default |
---|---|
module load plgrid/apps/blender/2.62 |
|
module load plgrid/apps/blender/2.49b |
|
module load blender/2.63a |
✅ |
module load blender/2.62 |
|
module load blender/2.49b |
boost
Versions:
Module | Default |
---|---|
module load plgrid/libs/boost/1.57.0-gcc4.8.1 |
|
module load boost/1.57.0-gcc4.8.1 |
✅ |
module load boost/1.51.0-gcc4.5.3 |
cfour
Versions:
Module | Default |
---|---|
module load cfour/rc |
✅ |
cgal
Versions:
Module | Default |
---|---|
module load plgrid/libs/cgal/4.5.2 |
|
module load plgrid/libs/cgal/4.0.2 |
|
module load plgrid/libs/cgal/3.9-intel |
|
module load cgal/4.5.2 |
✅ |
module load cgal/4.2 |
|
module load cgal/4.0.2 |
|
module load cgal/3.9-intel |
clustal-omega
Versions:
Module | Default |
---|---|
module load clustal-omega/1.1.0 |
✅ |
cmake
Versions:
Module | Default |
---|---|
module load plgrid/tools/cmake/3.17.3 |
|
module load cmake/3.17.3 |
✅ |
module load cmake/2.8.2 |
cp2k
Versions:
Module | Default |
---|---|
module load cp2k/2.4 |
✅ |
dalton
Versions:
Module | Default |
---|---|
module load dalton/2.0 |
✅ |
ebaltic
Versions:
Module | Default |
---|---|
module load ebaltic/1.0 |
✅ |
espresso
Versions:
Module | Default |
---|---|
module load plgrid/apps/espresso/7.0 |
|
module load plgrid/apps/espresso/6.6 |
|
module load plgrid/apps/espresso/6.4.1 |
|
module load espresso/7.0 |
✅ |
module load espresso/6.6 |
|
module load espresso/6.4.1 |
|
module load espresso/5.0.3 |
ferret
Versions:
Module | Default |
---|---|
module load plgrid/apps/ferret/7.5.0 |
|
module load ferret/7.5.0 |
✅ |
module load ferret/6.9.3 |
fluent
Versions:
Module | Default |
---|---|
module load plgrid/apps/fluent/20.2.0 |
|
module load plgrid/apps/fluent/16.2 |
|
module load plgrid/apps/fluent/15.0 |
|
module load plgrid/apps/fluent/14.5.7 |
|
module load plgrid/apps/fluent/14.0.0 |
|
module load fluent/20.2.0 |
✅ |
module load fluent/18.0 |
|
module load fluent/16.2 |
|
module load fluent/15.0 |
|
module load fluent/14.5.7 |
|
module load fluent/14.0.0 |
gamess
Versions:
Module | Default |
---|---|
module load plgrid/apps/gamess/2017r1-mpi |
|
module load plgrid/apps/gamess/2012.R1 |
|
module load plgrid/apps/gamess/2009.R3 |
|
module load gamess/2017r1-mpi |
✅ |
module load gamess/2012.R2-mpi |
|
module load gamess/2012.R1 |
|
module load gamess/2009.R3 |
gaussian
Versions:
Module | Default |
---|---|
module load plgrid/apps/gaussian/g09.D.01 |
|
module load plgrid/apps/gaussian/g09.C.01 |
|
module load gaussian/g16.B.01 |
✅ |
module load gaussian/g09.D.01 |
|
module load gaussian/g09.C.01 |
gcc
Versions:
Module | Default |
---|---|
module load plgrid/tools/gcc/7.3.0 |
|
module load plgrid/tools/gcc/4.5.3 |
|
module load plgrid/tools/gcc/10.2.0 |
|
module load plgrid/tools/gcc/10.1.0 |
|
module load gcc/7.3.0 |
|
module load gcc/4.8.1 |
|
module load gcc/4.5.3 |
|
module load gcc/10.2.0 |
✅ |
module load gcc/10.1.0 |
git
Versions:
Module | Default |
---|---|
module load git/2.18 |
✅ |
glibc
Versions:
Module | Default |
---|---|
module load plgrid/libs/glibc/2.14 |
|
module load glibc/2.18 |
✅ |
module load glibc/2.14 |
gromacs
Versions:
Module | Default |
---|---|
module load plgrid/apps/gromacs/4.5.3-mpi-d |
|
module load plgrid/apps/gromacs/4.5.1 |
|
module load plgrid/apps/gromacs/2020.3 |
|
module load gromacs/4.5.3-mpi-s |
|
module load gromacs/4.5.3-mpi-d |
|
module load gromacs/4.5.1 |
|
module load gromacs/2020.3 |
✅ |
hdf5
Versions:
Module | Default |
---|---|
module load plgrid/libs/hdf5/1.8.17-intel |
|
module load hdf5/1.8.17-intel |
✅ |
module load hdf5/1.8.11 |
htslib
Versions:
Module | Default |
---|---|
module load htslib/1.4 |
✅ |
impi
Versions:
Module | Default |
---|---|
module load plgrid/tools/impi/5.0.3.048 |
|
module load plgrid/tools/impi/2019.5 |
|
module load plgrid/tools/impi/2017.1.132 |
|
module load impi/5.0.3.048 |
|
module load impi/4.0.3.008 |
|
module load impi/2019.5 |
✅ |
module load impi/2017.1.132 |
intel
Versions:
Module | Default |
---|---|
module load plgrid/tools/intel/2019.5-3 |
|
module load plgrid/tools/intel/2019.5-2 |
|
module load plgrid/tools/intel/2019.5 |
|
module load plgrid/tools/intel/17.1 |
|
module load plgrid/tools/intel/15.1 |
|
module load intel/2019.5-3 |
✅ |
module load intel/2019.5-2 |
|
module load intel/2019.5 |
|
module load intel/17.1 |
|
module load intel/15.1 |
|
module load intel/12.1 |
irods
Versions:
Module | Default |
---|---|
module load plgrid/tools/irods/4.2.2 |
|
module load plgrid/tools/irods/4.1.3 |
|
module load irods/4.2.2 |
✅ |
module load irods/4.1.3 |
|
module load irods/4.0.3 |
jags
Versions:
Module | Default |
---|---|
module load plgrid/tools/jags/4.2.0 |
|
module load plgrid/tools/jags/3.3.0 |
|
module load jags/4.2.0 |
✅ |
module load jags/3.4.0 |
|
module load jags/3.3.0 |
java6
Versions:
Module | Default |
---|---|
module load java6/1.6.0_45 |
✅ |
java7
Versions:
Module | Default |
---|---|
module load java7/1.7.0_21 |
✅ |
java8
Versions:
Module | Default |
---|---|
module load java8/1.8.0_11 |
✅ |
julia
Versions:
Module | Default |
---|---|
module load julia/0.6.0 |
✅ |
kepler
Versions:
Module | Default |
---|---|
module load plgrid/apps/kepler/2.3 |
|
module load kepler/2.4 |
✅ |
module load kepler/2.3 |
lammps
Versions:
Module | Default |
---|---|
module load plgrid/apps/lammps/4Jul12 |
|
module load lammps/4Jul12 |
|
module load lammps/10Aug15 |
✅ |
mapyhalasu
Versions:
Module | Default |
---|---|
module load plgrid/apps/mapyhalasu/0.1 |
|
module load mapyhalasu/0.2 |
✅ |
module load mapyhalasu/0.1 |
marc
Versions:
Module | Default |
---|---|
module load marc/2012 |
✅ |
mkl
Versions:
Module | Default |
---|---|
module load plgrid/libs/mkl/2019.5 |
|
module load plgrid/libs/mkl/2017.0.1 |
|
module load plgrid/libs/mkl/11.2.3 |
|
module load plgrid/libs/mkl/10.3 |
|
module load mkl/2019.5 |
✅ |
module load mkl/2017.0.1 |
|
module load mkl/11.2.3 |
|
module load mkl/11.1 |
|
module load mkl/10.3 |
mpich
Versions:
Module | Default |
---|---|
module load mpich/3.3.1 |
✅ |
msc_nastran
Versions:
Module | Default |
---|---|
module load msc_nastran/2013 |
✅ |
namd
Versions:
Module | Default |
---|---|
module load plgrid/apps/namd/2.9-ibverbs-smp |
|
module load plgrid/apps/namd/2.11-ibverbs |
|
module load namd/2.9-ibverbs-smp |
|
module load namd/2.9-ibverbs |
|
module load namd/2.11-ibverbs |
✅ |
nanomd
Versions:
Module | Default |
---|---|
module load nanomd/2.2 |
✅ |
nco
Versions:
Module | Default |
---|---|
module load nco/4.7.5 |
✅ |
numeca
Versions:
Module | Default |
---|---|
module load numeca/8.10 |
acoustics
Versions:
Module | Default |
---|---|
module load plgrid/apps/numeca/acoustics/5.2-2 |
✅ |
module load numeca/acoustics/5.2-2 |
✅ |
fine_open
Versions:
Module | Default |
---|---|
module load plgrid/apps/numeca/fine_open/7.2 |
✅ |
module load plgrid/apps/numeca/fine_open/6.2 |
|
module load numeca/fine_open/7.2 |
✅ |
module load numeca/fine_open/6.2 |
fine_turbo
Versions:
Module | Default |
---|---|
module load plgrid/apps/numeca/fine_turbo/12.1 |
✅ |
module load numeca/fine_turbo/12.1 |
✅ |
turbo
Versions:
Module | Default |
---|---|
module load plgrid/apps/numeca/turbo/9.0-3 |
✅ |
module load numeca/turbo/9.0-3 |
✅ |
nwchem
Versions:
Module | Default |
---|---|
module load nwchem/6.1.1 |
✅ |
octave
Versions:
Module | Default |
---|---|
module load plgrid/tools/octave/5.1.0 |
|
module load octave/5.1.0 |
✅ |
module load octave/4.4.1 |
onedata
Versions:
Module | Default |
---|---|
module load onedata/20.02.3.24 |
✅ |
opencv
Versions:
Module | Default |
---|---|
module load opencv/2.4.2-gcc453 |
✅ |
openmpi
Versions:
Module | Default |
---|---|
module load plgrid/tools/openmpi/2.0.2-intel-17.1-ib |
|
module load plgrid/tools/openmpi/1.8.8-intel-15.1-ib |
|
module load plgrid/tools/openmpi/1.6.0-gnu-4.5.3-ib |
|
module load plgrid/tools/openmpi/1.4.5-intel-12.1.0-ib |
|
module load plgrid/tools/openmpi/1.4.5-gcc-4.1.2-ib |
|
module load openmpi/2.0.2-intel-17.1-ib |
✅ |
module load openmpi/1.8.8-intel-15.1-ib |
|
module load openmpi/1.6.5-gnu-4.8.1-ib |
|
module load openmpi/1.6.0-gnu-4.5.3-ib |
|
module load openmpi/1.4.5-intel-12.1.0-ib |
|
module load openmpi/1.4.5-gcc-4.1.2-ib |
openmx
Versions:
Module | Default |
---|---|
module load openmx/3.8.1-intel17.1 |
✅ |
openssl
Versions:
Module | Default |
---|---|
module load openssl/1.1.1g |
✅ |
pilgrim
Versions:
Module | Default |
---|---|
module load pilgrim/1.0 |
✅ |
platypus
Versions:
Module | Default |
---|---|
module load platypus/0.8.1 |
✅ |
r
Versions:
Module | Default |
---|---|
module load r/3.1.2 |
✅ |
module load r/3.1.0 |
|
module load r/3.0.2 |
|
module load r/3.0.0 |
|
module load plgrid/apps/r/3.1.0 |
|
module load plgrid/apps/r/3.0.2 |
|
module load plgrid/apps/r/3.0.0 |
siesta
Versions:
Module | Default |
---|---|
module load siesta/trunk-462-mkl |
✅ |
module load siesta/4.1-b4-mkl |
|
module load siesta/4.0.2-mkl |
|
module load siesta/4.0.1-mkl |
|
module load siesta/4.0-mkl |
|
module load siesta/3.2-mkl |
|
module load plgrid/apps/siesta/trunk-462-mkl |
|
module load plgrid/apps/siesta/4.1-b4-mkl |
|
module load plgrid/apps/siesta/4.0.1-mkl |
|
module load plgrid/apps/siesta/4.0-mkl |
|
module load plgrid/apps/siesta/3.2-mkl |
360
Versions:
Module | Default |
---|---|
module load tecplot/360/2017r2 |
✅ |
module load tecplot/360/2013r2 |
|
module load plgrid/apps/tecplot/360/2017r2 |
vasp
Versions:
Module | Default |
---|---|
module load vasp/5.4.4-mkl |
✅ |
module load vasp/5.4.4-impi-2019.5 |
|
module load plgrid/apps/vasp/5.4.4-impi-2019.5 |
python
Versions:
Module | Default |
---|---|
module load python/3.8.5 |
|
module load python/3.11.4 |
✅ |
module load python/2.7.9 |
|
module load python/2.6.9 |
|
module load python/2.6.4 |
|
module load plgrid/tools/python/3.8.5 |
|
module load plgrid/tools/python/3.11.4 |
|
module load plgrid/tools/python/2.6.9 |
|
module load plgrid/tools/python/2.6.4 |
protobuf
Versions:
Module | Default |
---|---|
module load protobuf/2.4.1 |
✅ |
ruby
Versions:
Module | Default |
---|---|
module load ruby/2.0.0-p0 |
✅ |
sluch
Versions:
Module | Default |
---|---|
module load sluch/0.1 |
✅ |
voro++
Versions:
Module | Default |
---|---|
module load voro++/0.4.6 |
✅ |