repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Fix GMX_ALIGNMENT for MSVC 2012 and 2013
2015-06-22
Roland
Schulz
Fix G
M
X_ALIGNMENT for MSVC 2012 and 2013
commit
|
commitdiff
|
tree
2015-06-22
Berk Hess
A
v
oid f
p
e
x
ceptions in pair search d
e
bug
commit
|
commitdiff
|
tree
2015-06-22
Erik Lindahl
F
i
x compiler warn
i
ngs in cmake tests
commit
|
commitdiff
|
tree
2015-06-22
R
o
land Schulz
Fix cmake
3
.
1 war
n
ings with
MSVC
commit
|
commitdiff
|
tree
2015-06-22
Berk Hess
Replaced hardware threads
b
y logical cores
i
n ou
t
p
u
t
commit
|
commitdiff
|
tree
2015-06-21
Szilar
d
Pall
fix CPU core overs
u
b
s
cription detection
commit
|
commitdiff
|
tree
2015-06-18
Berk Hes
s
Reduced the cost of th
e
pull co
m
municat
i
o
n
commit
|
commitdiff
|
tree
2015-06-18
Mark Abraham
Fix typo i
n
G
MX_BUILD_O
W
N_FFTW message
commit
|
commitdiff
|
tree
2015-06-17
Teemu Murtola
Minor c
l
ean up for r
e
fdata
.
*
commit
|
commitdiff
|
tree
2015-06-17
Teemu Murtola
Improve logic for au
t
omati
c
selectio
n
nam
e
s
commit
|
commitdiff
|
tree
2015-06-17
Berk Hes
s
Refactored pull data st
r
uctu
r
e
s
commit
|
commitdiff
|
tree
2015-06-16
Erik Li
n
dahl
Fix C
U
DA vers
i
o
n
info in NVML appl
i
c
ation
clock warning
commit
|
commitdiff
|
tree
2015-06-16
Eri
k
Lindahl
Add memb
r
ane
e
mbedd
i
ng docs
commit
|
commitdiff
|
tree
2015-06-16
Berk Hess
Added missing
D
D cycle co
u
n
t
ing
commit
|
commitdiff
|
tree
2015-06-16
Erik Li
n
dahl
Updated FFTW recommendations in insta
l
l-guide
.
commit
|
commitdiff
|
tree
2015-06-16
Mark
Abraham
Mo
v
e cod
e
for mana
g
ing m
d
run -cp
i
and -append
commit
|
commitdiff
|
tree
2015-06-16
Be
r
k
H
e
s
s
A
utomated the
-
gp
u
_
id option
commit
|
commitdiff
|
tree
2015-06-16
Erik Li
n
d
a
hl
F
ix segfault wi
t
h
timer
reset
and -nb c
p
u
commit
|
commitdiff
|
tree
2015-06-16
Erik
L
indahl
A
v
o
i
d w
a
rning about af
f
i
nity on Blue Ge
n
e, reduce war
n
ings
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraha
m
Add unit tests fo
r
A
rr
a
yRef
commit
|
commitdiff
|
tree
2015-06-16
Roland Schulz
F
i
x warning in uncrustify
commit
|
commitdiff
|
tree
2015-06-15
Erik Lindahl
Fix
O
S X FFTW bu
i
ld fa
i
l
ures introduced 86a772
commit
|
commitdiff
|
tree
2015-06-15
E
rik
Lindahl
Fixed
S
IMD detectio
n
and flags
c
ommon fo
r
IB
M
arch
s
commit
|
commitdiff
|
tree
2015-06-13
Berk
Hess
Hardwar
e
reporting now c
o
v
e
rs all nodes
commit
|
commitdiff
|
tree
2015-06-12
T
eem
u
Murtola
U
p
date
help output
commit
|
commitdiff
|
tree
2015-06-12
Teem
u
Murtola
Initi
a
l docs
for Jenkins integration
commit
|
commitdiff
|
tree
2015-06-12
Teem
u
Murtola
I
n
itia
l
build syst
e
m documen
t
a
t
i
o
n in d
e
v gu
i
de
commit
|
commitdiff
|
tree
2015-06-12
Teemu Murtola
Imp
r
o
v
e
Je
n
k
i
ns docs b
u
ild
commit
|
commitdiff
|
tree
2015-06-11
M
ark Abraham
Handle timing b
e
tter
in J
e
n
k
i
n
s
commit
|
commitdiff
|
tree
2015-06-11
Teemu Murto
l
a
Script for
J
enkins do
c
umen
t
ation build
commit
|
commitdiff
|
tree
2015-06-11
Mark A
b
rah
a
m
Clean u
p
vsite inte
r
action cl
e
an-up
c
od
e
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murtola
M
i
sc
.
improvements to docs build system
commit
|
commitdiff
|
tree
2015-06-09
Teemu Murtola
Improve user guid
e
t
e
x
t
fo
r
c
ommand line interface
commit
|
commitdiff
|
tree
2015-06-07
E
rik Lindahl
Fix out-o
f
-rang
e
integer li
t
er
a
ls for threefry
commit
|
commitdiff
|
tree
2015-06-06
S
z
il
a
rd
Pall
O
ptimize a
t
omic acc
u
mula
t
i
o
n
in CU
D
A NB kerne
l
commit
|
commitdiff
|
tree
2015-06-05
R
o
land Sch
u
lz
R
e
enable lincs/bo
n
de
d
S
I
MD for ICC on Wi
n
dows
commit
|
commitdiff
|
tree
2015-06-05
M
a
r
k
A
b
r
aham
Remove
g
mx
_
simd_check_and_reset_overflow
commit
|
commitdiff
|
tree
2015-06-05
Berk
Hess
Don't use
P
ME
r
anks
w
ith GPUs and -np
m
e=-1
commit
|
commitdiff
|
tree
2015-06-04
M
a
rk Abraham
Fix naming from "Grom
a
cs" to "GROMA
C
S"
commit
|
commitdiff
|
tree
2015-06-04
Erik Lindahl
More new
q
uotes
commit
|
commitdiff
|
tree
2015-06-04
Teemu Murtola
Fix potential F
P
E in selection te
s
ts
commit
|
commitdiff
|
tree
2015-06-04
Teem
u
M
urtol
a
Support
rst
ta
b
l
e
s in tool help text
s
commit
|
commitdiff
|
tree
2015-06-03
Ro
l
and Schul
z
Us
e
stack bu
f
fer
for L
I
NCS&bonded
g
a
t
her/
s
c
a
tter
commit
|
commitdiff
|
tree
2015-06-02
Rossen Apostol
o
v
Co
n
v
e
rted random modu
l
e to C+
+
.
commit
|
commitdiff
|
tree
2015-05-28
Teem
u
Murtola
Additional s
e
le
c
tion examples
commit
|
commitdiff
|
tree
2015-05-27
Berk Hess
Refac
t
oring of
PME load bala
n
cing
commit
|
commitdiff
|
tree
2015-05-27
Rossen
A
postolov
C
o
nv
e
rted pullin
g
code
to C++
.
commit
|
commitdiff
|
tree
2015-05-26
Mark Abraha
m
A
voi
d
p
o
ssible floating-poin
t
exception
commit
|
commitdiff
|
tree
2015-05-24
Te
e
mu Mur
t
ola
Include selection keywor
d
d
e
t
a
ils in user guide
commit
|
commitdiff
|
tree
2015-05-23
Mark Ab
r
aham
Fi
x
m
isuse of
gmx_
s
imd_check_and_reset_overflow
commit
|
commitdiff
|
tree
2015-05-22
Teemu
Murtola
Base to get
all
'gmx
help'
conte
n
ts to
u
ser guide
commit
|
commitdiff
|
tree
2015-05-22
Teem
u
Murt
o
la
Av
o
id crash with empty r
e
fere
n
c
e for 'same
a
s'
s
elect
i
on
commit
|
commitdiff
|
tree
2015-05-22
Teemu
Murtola
Add
s
u
b
section depth to Hel
p
WriterContext
commit
|
commitdiff
|
tree
2015-05-22
Teemu Murtola
Add note about ato
m
ord
e
r in selec
t
ions
commit
|
commitdiff
|
tree
2015-05-21
Tee
m
u Murtol
a
R
e
struc
t
u
re CommandLineMo
d
uleManager
tes
t
s
commit
|
commitdiff
|
tree
2015-05-21
Mark A
b
raham
Ad
d
integration te
s
t
f
or empty do
m
ain
commit
|
commitdiff
|
tree
2015-05-20
Teemu Murtola
Fix dependencies
f
or
r
eg
r
ess
i
on te
s
t
custom target
commit
|
commitdiff
|
tree
2015-05-20
Te
e
mu
M
urtola
Some tests f
o
r 'gmx
help -export rst'
commit
|
commitdiff
|
tree
2015-05-19
Mark Abr
a
ham
R
e
factor FFTW setup
commit
|
commitdiff
|
tree
2015-05-18
Teemu Murtola
Merge "Merge branch origin/release-5-
0
"
commit
|
commitdiff
|
tree
2015-05-17
Erik Lindahl
Added hacks for SIMD rvec/l
o
ad store
i
n lincs & bonde
d
s
commit
|
commitdiff
|
tree
2015-05-17
Te
e
mu Murt
o
la
Move a few
de
f
ines to buildi
n
fo
.
h
commit
|
commitdiff
|
tree
2015-05-16
Berk Hess
LI
N
CS thread tasks
c
an
n
ow be independ
e
nt
commit
|
commitdiff
|
tree
2015-05-16
Mark A
b
raham
Sup
p
ress GCC5 warnings with internal Boost
commit
|
commitdiff
|
tree
2015-05-16
M
agnus Lund
b
org
TN
G
version
1
.
7
.
5
commit
|
commitdiff
|
tree
2015-05-16
Alexey
S
hvetsov
M
ake bond-atom
t
yp
e
s case sensi
t
ive
commit
|
commitdiff
|
tree
2015-05-14
Mark Abraham
Fix own-
F
FTW build
commit
|
commitdiff
|
tree
2015-05-13
Tee
m
u
M
urtola
R
e
move r
e
maining
o
ld-html
co
n
tent
commit
|
commitdiff
|
tree
2015-05-13
Berk Hess
Fix segv in g_covar
commit
|
commitdiff
|
tree
2015-05-13
Szi
l
ard Pall
Fix au
t
o-down
l
oaded regr
e
ss
i
on test execut
i
on
commit
|
commitdiff
|
tree
2015-05-13
Roland Sch
u
lz
Facilitate l
i
nking
of stat
i
c binaries
commit
|
commitdiff
|
tree
2015-05-12
Mark Abraham
Fix uni
n
itiali
z
e
d
f
ields in
g
rompp
t
_state
commit
|
commitdiff
|
tree
2015-05-11
Mark Abraham
Work
ar
o
und gcc 5 w
a
rni
n
g
s
w
ith Goo
g
le
T
e
st
commit
|
commitdiff
|
tree
2015-05-10
Mar
k
Abraham
Merge "Merge branch release-5-0"
commit
|
commitdiff
|
tree
2015-05-10
T
eemu Murtola
Pr
i
nt
co
r
rect order
f
o
r inc
l
ude
o
rd
e
r/style issues
commit
|
commitdiff
|
tree
2015-05-10
T
e
e
mu Murtola
Im
p
rove build syste
m
for Sph
i
nx
commit
|
commitdiff
|
tree
2015-05-10
Teemu Murtola
C
o
nver
t
developer
m
a
nual to
rst
commit
|
commitdiff
|
tree
2015-05-06
M
a
r
k Abraham
Fixed recently-i
n
trodu
c
e
d couple-lambda warning m
e
s
sage
commit
|
commitdiff
|
tree
2015-05-06
Szi
l
árd Páll
Mer
g
e "Merge release-4-6
i
nto
r
el
e
ase-5-
0
" into release-5-0
commit
|
commitdiff
|
tree
2015-05-06
Mark Ab
r
aham
Fix SIMD unit te
s
ts on
BG/Q
commit
|
commitdiff
|
tree
2015-05-05
Tee
m
u Murto
l
a
Avoid ro
u
n
ding e
r
ro
r
s affecting results in
one test
commit
|
commitdiff
|
tree
2015-04-30
O
l
ivier
Fisette
Fix error handling i
n
gmx_tmpnam
commit
|
commitdiff
|
tree
2015-04-30
Michael Shirts
Fi
x
for
r
arely occurin
g
replica
exchang
e
error
.
commit
|
commitdiff
|
tree
2015-04-28
Mark Abr
a
h
am
Add application-cloc
k
NVML-based support for Quadr
o
.
.
.
commit
|
commitdiff
|
tree
2015-04-27
Ma
r
k
A
bra
h
am
Clean up remnants
in mdrun
commit
|
commitdiff
|
tree
2015-04-21
Szilárd
P
á
l
l
Allow manual
l
y
s
etting target
G
PU architectures
commit
|
commitdiff
|
tree
2015-04-21
Magnu
s
Lun
d
bor
g
TNG version 1
.
7
.
3
commit
|
commitdiff
|
tree
2015-04-21
Mark Abraha
m
Merge
"
M
erge branch release-5-0"
commit
|
commitdiff
|
tree
2015-04-17
Be
r
k
H
e
s
s
Add value_ref
a
nd value to
pu
l
l_coord_t
commit
|
commitdiff
|
tree
2015-04-17
Szilárd Páll
def
i
n
e
CUDA
v
ers
i
on and
te
x
obj suppor
t
i
n config
.
h
commit
|
commitdiff
|
tree
2015-04-17
M
a
rk Abr
a
ham
Ad
d
comment a
b
o
ut Andersen them
o
s
tat
and
c
onstrai
n
ts
commit
|
commitdiff
|
tree
2015-04-17
D
avid van der Spoel
Updated exponential
f
i
t
ting
t
o
mak
e
it robus
t
.
commit
|
commitdiff
|
tree
2015-04-08
Berk
H
ess
Add
e
d pull geometry direction-relative
commit
|
commitdiff
|
tree
2015-04-01
Mark Abraha
m
Initialize n_tricvec field of t_pbc always
commit
|
commitdiff
|
tree
2015-04-01
Berk Hess
C
o
rrected force-swi
t
ch man
u
al sect
i
on
commit
|
commitdiff
|
tree
2015-03-30
M
a
r
k
Abraham
Im
p
roved
ma
n
-
page
m
ach
i
nery
commit
|
commitdiff
|
tree
2015-03-25
Erik Lindahl
Quote
f
rom
J
en
-
Hs
u
n at the NVIDIA GTC conferen
c
e 2015
commit
|
commitdiff
|
tree
2015-03-19
Berk H
e
ss
Re
m
oved
redu
c
tion of
dH/dl w
i
thout FE
commit
|
commitdiff
|
tree
2015-03-13
Mark Abraham
Made GPU warning
m
essag
e
s more user friendly
commit
|
commitdiff
|
tree
2015-03-12
Berk Hes
s
Fixed mdr
u
n fp exception
w
ith -debu
g
commit
|
commitdiff
|
tree
next