Home	About	News & Publications	HPC Users	Projects
Systems	Services	Analytics	Status & Statistics	Help

Chemistry Software at NERSC

Package	Platform	Version	Module	Docs
amber	bassi	pre 9.0	amber	NERSC; Vendor
amber	franklin	9.0	amber	NERSC; Vendor
amber	jacquard	8.0	amber/8.0	NERSC; Vendor
amber	jacquard	9.0	amber	NERSC; Vendor
amber	jacquard	pre 9.0	amber	NERSC; Vendor
gamess	bassi	2004.11*	gamess	NERSC; Vendor
gamess	bassi	2007.03*	gamess/2007.03	NERSC; Vendor
gamess	jacquard	2004.11*	gamess	NERSC; Vendor
gamess	jacquard	2007.03*	gamess/2007.03	NERSC; Vendor
gaussian03	bassi	c2	g03/c2	NERSC; Vendor
gaussian03	bassi	d2	g03/d2	NERSC; Vendor
gaussian03	bassi	e1	g03/e1	NERSC; Vendor
gaussian03	jacquard	c2	g03	NERSC; Vendor
gaussian03	jacquard	d2	g03/d2	NERSC; Vendor
gromacs	jacquard	3.3	gromacs	Vendor
molpro	bassi	2002.6*	molpro	NERSC; Vendor
molpro	bassi	2006.1*	molpro/2006.1	NERSC; Vendor
molpro	jacquard	2002.6*	molpro	NERSC; Vendor
molpro	jacquard	2006.1*	molpro/2006.1_serial	NERSC; Vendor
molpro	jacquard	2006.1*	molpro/2006.1	NERSC; Vendor
namd	bassi	2.6b1	namd	NERSC; Vendor
namd	davinci	2.6b1	namd	NERSC; Vendor
namd	franklin	2.6	namd	NERSC; Vendor
namd	jacquard	2.5	namd/2.5	NERSC; Vendor
namd	jacquard	2.6	namd/2.6	NERSC; Vendor
namd	jacquard	2.6b1	namd/2.6b1	NERSC; Vendor
nwchem	bassi	4.7	nwchem/4.7	NERSC; Vendor
nwchem	bassi	5.0	nwchem	NERSC; Vendor
nwchem	franklin	5.1	nwchem	NERSC; Vendor
nwchem	jacquard	4.7	nwchem/4.7	NERSC; Vendor
nwchem	jacquard	5.0	nwchem	NERSC; Vendor
q-chem	bassi	3.0	qchem/3.0	NERSC; Vendor
q-chem	bassi	3.1	qchem	NERSC; Vendor
q-chem	jacquard	3.1	qchem	NERSC; Vendor
q-chem	jacquard	3.1 serial	qchem/3.1s	NERSC; Vendor

(*) Denotes limited support

HPC Users

	National Energy Research Scientific Computing Center
	A DOE Office of Science User Facility at Lawrence Berkeley National Laboratory	Site Map \| Help \| Search Login