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Add CUDA compiler support for CC 5.0
2014-11-17
S
zilárd
Pál
l
A
dd CUDA compil
e
r support for CC 5
.
0
commit
|
commitdiff
|
tree
2014-11-14
Tee
m
u Murtola
Refactor p
o
sition
-
e
valuated selection keyword
h
a
ndli
n
g
commit
|
commitdiff
|
tree
2014-11-12
R
o
land
S
chulz
Use stat to chec
k
that
p
aths a
r
e equivalent
commit
|
commitdiff
|
tree
2014-11-12
Roland Schulz
Add bitma
s
k typ
e
commit
|
commitdiff
|
tree
2014-11-09
Roland Schulz
Fix
C
MP0
0
5
4 cmake 3
.
1
.
0
warnings
commit
|
commitdiff
|
tree
2014-10-30
Te
e
mu Murtola
F
ix memory leak in defaul
t
index
g
ro
u
p crea
t
ion
commit
|
commitdiff
|
tree
2014-10-30
Roland Schulz
Mer
g
e
"
Merge release-5-0
i
nto master"
commit
|
commitdiff
|
tree
2014-10-29
Te
e
mu
Murtola
Improve
a
n
alysis nbsearch
g
r
i
d map
p
ing
commit
|
commitdiff
|
tree
2014-10-26
Roland Sc
h
ul
z
Add Window
s
sup
p
ort
f
or
host-/u
s
ername
commit
|
commitdiff
|
tree
2014-10-22
Teemu Murtola
Mo
v
e basic
m
acros fro
m
common
.
h to
b
as
e
definitio
n
s
.
h
commit
|
commitdiff
|
tree
2014-10-22
Rolan
d
S
chulz
Remove Catamount cmake
commit
|
commitdiff
|
tree
2014-10-21
Rola
n
d Sc
h
ulz
Fi
x
C
++11 flags for
MingW
commit
|
commitdiff
|
tree
2014-10-20
Rola
n
d Schulz
C
re
a
te
s
coped_cptr to replace scoped_ptr
_
sfre
e
commit
|
commitdiff
|
tree
2014-10-20
Berk Hess
Remove
d
f_n
o
virsum red
u
cti
o
n in Verlet schem
e
commit
|
commitdiff
|
tree
2014-10-20
Carsten Kutzner
F
i
x
o
rder
of ED/swap blocks during c
h
ec
k
p
o
int rea
d
ing
.
commit
|
commitdiff
|
tree
2014-10-14
David
v
a
n
de
r
Spoel
R
e
organizing anal
y
sis of correlation fun
c
tions
.
commit
|
commitdiff
|
tree
2014-10-14
Teemu
Murtola
U
s
e a
n
aly
s
is n
b
search in
i
nsert
-
m
o
l
e
cul
e
s
commit
|
commitdiff
|
tree
2014-10-12
Roland Schulz
F
i
x
misi
d
ent
i
fication of dot
i
n path name
commit
|
commitdiff
|
tree
2014-10-11
T
e
e
mu Murtola
Ge
n
e
ralize command-lin
e
u
n
it testin
g
machinery
commit
|
commitdiff
|
tree
2014-10-05
Roland Sch
u
lz
Allow runAsMain
S
ing
l
e
Modul
e
to
be called more t
h
an
.
.
.
commit
|
commitdiff
|
tree
2014-10-03
Mark
A
braham
Mo
v
e pair-in
t
eraction code into liste
d
-forces m
o
dule
commit
|
commitdiff
|
tree
2014-10-03
Teemu
Murtola
Mor
e
r
ob
u
st han
d
ling
for
installe
d
headers
commit
|
commitdiff
|
tree
2014-09-30
Erik Lind
a
hl
Add
P
o
w
er
8
VSX
SIMD
s
uppor
t
commit
|
commitdiff
|
tree
2014-09-30
Szilard Pall
Fix in
c
orre
c
t
LJ cut-off with GPU + PME tuning
commit
|
commitdiff
|
tree
2014-09-30
Berk
Hess
Avo
i
d DLB
w
ith overloaded PME r
a
n
ks
commit
|
commitdiff
|
tree
2014-09-30
Berk Hess
Added GPU lo
c
al wait to load balancing
commit
|
commitdiff
|
tree
2014-09-30
Erik Lindah
l
Avoid using f
u
nction
calls in OpenMP
d
irectives
commit
|
commitdiff
|
tree
2014-09-29
Berk
H
es
s
Dom
a
in
decomposition
n
ow checks
the r
l
ist buffe
r
commit
|
commitdiff
|
tree
2014-09-29
Rolan
d
Schulz
Clarify G
C
C+Win
+
A
V
X warning
commit
|
commitdiff
|
tree
2014-09-29
Berk
Hes
s
SIMD a
c
c
e
l
eration for RB di
h
e
d
r
als
commit
|
commitdiff
|
tree
2014-09-29
Mark
Abraham
Merge "M
e
rge release-4-6 into
r
elease
-
5
-0" into releas
e
-5-0
commit
|
commitdiff
|
tree
2014-09-29
Berk Hess
Avo
i
d
PME t
u
ning decreasing rcoul
o
mb
commit
|
commitdiff
|
tree
2014-09-29
Berk
Hess
Fix c
a
lc_grid avoiding P
M
E
grid facto
r
84
commit
|
commitdiff
|
tree
2014-09-26
Ross
e
n Apost
o
l
ov
Co
n
v
erted
s
wap
m
odu
l
e
t
o C++
.
commit
|
commitdiff
|
tree
2014-09-23
Mark Abraham
Renamed bonded m
o
dule as 'listed-forces
'
commit
|
commitdiff
|
tree
2014-09-23
Mark Abraha
m
Re
f
ac
t
or mdrun inte
g
ration
t
es
t
s
commit
|
commitdiff
|
tree
2014-09-23
R
oland Schulz
Fix ICC warn
i
ngs
commit
|
commitdiff
|
tree
2014-09-23
David van der Spoel
Fixes
p
otential
b
ug in neighbors
e
a
r
c
h
ing
.
commit
|
commitdiff
|
tree
2014-09-23
Teemu Murtola
Generate m
a
n
p
ages and
c
ompletions
by default if po
s
si
b
le
commit
|
commitdiff
|
tree
2014-09-22
Teemu
Murtola
Merge "Merge release-5-
0
in
t
o master"
commit
|
commitdiff
|
tree
2014-09-20
Te
e
mu Murtola
Remove
d
u
p
l
i
cati
o
n
i
n
v
ersion info target creation
commit
|
commitdiff
|
tree
2014-09-20
Erik Lindahl
Added a b
u
nch
o
f n
e
w
and old quote
s
.
commit
|
commitdiff
|
tree
2014-09-20
Teemu Murtola
Fix patte
r
ns for
.
gita
t
t
r
ibu
t
es
commit
|
commitdiff
|
tree
2014-09-20
Roland Schulz
Min
o
r
p
erformance improments
commit
|
commitdiff
|
tree
2014-09-19
T
eemu Murtola
Proper d
e
pendencies for Doxygen buil
d
rules
commit
|
commitdiff
|
tree
2014-09-19
Teemu Murtola
Fix histogram
r
esampling outpu
t
b
in
pos
i
tion
s
commit
|
commitdiff
|
tree
2014-09-19
T
eemu M
u
rtola
Embed modul
e
dependency graph in Dox
y
g
e
n docs
commit
|
commitdiff
|
tree
2014-09-19
Teemu
M
u
rtol
a
M
ore precise a
n
alysisdata hi
s
t
o
gram accumulation
commit
|
commitdiff
|
tree
2014-09-19
T
e
emu Mur
t
o
la
M
i
sc
.
Doxygen b
u
i
l
d
s
y
stem
improv
e
ments
commit
|
commitdiff
|
tree
2014-09-18
Roland Schul
z
Fix double l
i
n
k
a
g
e
fo
r
tests
commit
|
commitdiff
|
tree
2014-09-17
Ro
l
and Schulz
Add m
i
s
s
ing q
u
o
t
es
commit
|
commitdiff
|
tree
2014-09-17
Rol
a
nd Sc
h
ulz
F
ix sh
a
red libs for Mingw
commit
|
commitdiff
|
tree
2014-09-16
Roland Schu
l
z
F
ix warn
i
ngs for IC
C
15
commit
|
commitdiff
|
tree
2014-09-13
Teem
u
Murtol
a
Declare __
S
TD
C
_*_MACROS i
n
gmxpre
.
h
commit
|
commitdiff
|
tree
2014-09-12
M
a
rk Abraham
M
i
no
r
changes to mdrun -
h
descriptions
commit
|
commitdiff
|
tree
2014-09-11
R
oland Schulz
F
ix sorting and doxygen
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Improve u
n
crustif
y
.
sh
r
eturn
c
ode handling
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Includ
e
dir
e
c
t
ive sorter
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Add gmx_getp
i
d
(
)
commit
|
commitdiff
|
tree
2014-09-11
Eri
k
L
indahl
Enab
l
e
s
t
a
ti
c
a
n
o
n
namespace workaround on
pathscale
commit
|
commitdiff
|
tree
2014-09-10
Erik Lindahl
Imp
r
ove performance
o
f
MIC exponent
i
al
commit
|
commitdiff
|
tree
2014-09-10
David van der
Spoel
Remove
.
tpa
,
.
tpb,
.
tpx,
.
t
r
j file
s
.
Part o
f
#1500
.
commit
|
commitdiff
|
tree
2014-09-10
Justin Lemk
u
l
Added flat-b
o
ttom
c
y
lindrical restraints in x
a
nd y
.
commit
|
commitdiff
|
tree
2014-09-09
Rossen
A
p
o
stol
o
v
Con
v
e
r
t
ed groupcoord to C++
.
commit
|
commitdiff
|
tree
2014-09-09
Rosse
n
Apost
o
lov
C
o
nver
t
ed fft file
s
to C++
.
commit
|
commitdiff
|
tree
2014-09-08
Teemu
M
u
rtola
Support custom d
e
fault
e
xtension for F
i
leNameOpti
o
n
commit
|
commitdiff
|
tree
2014-09-08
T
eemu Murtola
Remove unnec
e
ssary ex
t
ensio
n
s
i
n
t_filenm de
f
aults
commit
|
commitdiff
|
tree
2014-09-07
Teemu Murtola
More consistent defau
l
t handling for StringOption
commit
|
commitdiff
|
tree
2014-09-07
Teemu Murtola
Update tem
p
l
a
te/README
commit
|
commitdiff
|
tree
2014-09-07
Roland Schulz
Remov
e
some inc
l
u
d
e order dep
e
ndencies
commit
|
commitdiff
|
tree
2014-09-07
Ro
l
and Schul
z
Fix build
for external boost
1
.
56
.
0
commit
|
commitdiff
|
tree
2014-09-07
Rolan
d
S
c
hulz
Sim
p
lify AVX integ
e
r
l
oad/st
o
re
commit
|
commitdiff
|
tree
2014-09-05
T
e
emu
Murtola
A
n
o
ther ba
t
ch
o
f add
e
d conf
i
g
.
h
commit
|
commitdiff
|
tree
2014-09-05
Tee
m
u
Murtola
Make
doc-check fail the build on war
n
in
g
s
commit
|
commitdiff
|
tree
2014-09-05
T
e
emu
Murtola
M
erge "Merge re
l
ea
s
e
-5-0 into master"
commit
|
commitdiff
|
tree
2014-09-04
Roland Schulz
Add Mingw warn
i
n
gs
commit
|
commitdiff
|
tree
2014-09-04
R
o
lan
d
Schulz
Slight
s
implifcation of 2xnn
commit
|
commitdiff
|
tree
2014-09-04
Teemu Murtola
Make doc-check
s
il
e
n
t
for in-so
u
rce build
commit
|
commitdiff
|
tree
2014-09-04
Teemu Murt
o
la
Merge "Merge
r
el
e
ase-5-0 int
o
master"
commit
|
commitdiff
|
tree
2014-09-04
Erik Lindahl
K-
c
ompu
t
er specific modifications
commit
|
commitdiff
|
tree
2014-09-04
Christo
p
h
J
u
n
g
h
a
ns
cmake
:
missing quote
commit
|
commitdiff
|
tree
2014-09-03
Erik Li
n
dahl
Fixed sc_power=
=
48 crash
i
n single precision
commit
|
commitdiff
|
tree
2014-09-03
Mark
A
braham
Fix mi
s
-use of fabs in LAPACK
commit
|
commitdiff
|
tree
2014-09-03
Mark Abra
h
am
M
ore h
a
cking to g
e
t the template to detect and build
commit
|
commitdiff
|
tree
2014-09-03
Ro
l
and Schul
z
Fix t
h
at TNG tests w
e
re not run
commit
|
commitdiff
|
tree
2014-09-03
E
rik L
i
nda
h
l
Fixed
p
r
e
proc
e
ssor
e
rror for AV
X
_128_FMA si
m
d
commit
|
commitdiff
|
tree
2014-09-02
E
rik Lindahl
Fix
f
ormattin
g
of fatal error
s
i
n g_ba
r
commit
|
commitdiff
|
tree
2014-09-02
Roland Schulz
Fix PRINT_ALLOC_
K
B
o
utput
commit
|
commitdiff
|
tree
2014-09-02
Ma
g
n
u
s L
u
ndborg
T
N
G
Fix for GMX_DOUBLE builds and where ZLIB
is no
t
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
Fix
data blo
c
k lengt
h
when uncompressing TNG
data
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lun
d
borg
TNG: Hand
l
e large files on 32 bit systems
.
commit
|
commitdiff
|
tree
2014-09-01
J
u
stin
L
emkul
Upda
t
ed x
-
axis label for
g
_
wham
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus L
u
n
d
b
org
When wr
i
tin
g
TNG include f
i
le closing in wallcy
c
le
.
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
F
i
x an
d
document issues
with
t
emplate
.
c
p
p
commit
|
commitdiff
|
tree
2014-09-01
Mark Abra
h
am
Merge "Mer
g
e bran
c
h
release-4-6 into release
-
5-0" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2014-09-01
M
ark Abra
h
am
Fix
e
s and updates
to BlueG
e
ne/Q support
commit
|
commitdiff
|
tree
2014-09-01
M
ark
Abr
a
ham
Merge "Merge branch r
e
lease-4-6
i
nto release-5-0" into
.
.
.
commit
|
commitdiff
|
tree
2014-08-31
Erik
Lindahl
Added
negative z
e
r
o preprocessor cons
t
ants
commit
|
commitdiff
|
tree
2014-08-28
Berk
He
s
s
Fix
e
d two PME issue
s
w
i
t
h
M
PI+OpenMP
commit
|
commitdiff
|
tree
2014-08-24
Berk
Hess
Initialize
unused velocity constrain
t
co
m
ponents
commit
|
commitdiff
|
tree
next