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
Merge branch release-5-1
2015-10-13
Mark Abraham
Merge bra
n
ch
r
elease-4-6
into re
l
ease-5-0
commit
|
commitdiff
|
tree
2015-10-09
Mark Abraham
R
e
move CGLO_RERUNM
D
commit
|
commitdiff
|
tree
2015-10-07
Mark Abrah
a
m
Mer
g
e bran
c
h
r
elease-5-1 int
o
m
aster
commit
|
commitdiff
|
tree
2015-10-07
M
a
rk Abra
h
am
F
i
xed FFT
W
dete
c
tion
s
tatus message lo
c
ati
o
n
commit
|
commitdiff
|
tree
2015-10-05
Mark Abraham
Merge
r
elease-5-0 i
n
to r
e
lea
s
e-5-
1
commit
|
commitdiff
|
tree
2015-10-05
Mark Abraham
Merge "M
e
r
g
e
bra
n
c
h
release-5-1 into master"
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraham
Fix FindFFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
Mark Abraha
m
Fix mdrun -nb
auto -rerun with
GPU and energy groups
commit
|
commitdiff
|
tree
2015-10-02
Mark Abr
a
ham
Te
m
p
orarily t
e
st on a machi
n
e
w
ith
o
n
ly two
G
P
U
s
commit
|
commitdiff
|
tree
2015-09-29
Mark Abraham
Cl
e
a
n up of tabl
e
s cod
e
commit
|
commitdiff
|
tree
2015-09-29
Mark Abrah
a
m
M
o
ve tables
.
c
t
o
new module and C++
commit
|
commitdiff
|
tree
2015-09-29
Mark Abr
a
ham
Hard-
c
od
e
fewer things
in table code
commit
|
commitdiff
|
tree
2015-09-28
Mark A
b
r
aham
El
i
mi
n
ate use
of typedefs
.
h i
n
kernel C
c
ode
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
Fi
x
reaction-fi
e
ld warning message
commit
|
commitdiff
|
tree
2015-09-16
Mark A
b
raham
Remove GM
X
_NOCHARG
E
G
ROUPS
commit
|
commitdiff
|
tree
2015-09-15
Mark
A
brah
a
m
Merge
branch release-5-1
commit
|
commitdiff
|
tree
2015-09-12
Mark Ab
r
aham
Clean
u
p tpxio
.
cpp
commit
|
commitdiff
|
tree
2015-09-09
Ma
r
k Abrah
a
m
Reduce
m
isuse
of fatalerror
.
h
commit
|
commitdiff
|
tree
2015-09-06
Mark A
b
raham
A
d
d GROMACS 5
p
aper to pa
p
er
l
ist
s
commit
|
commitdiff
|
tree
2015-09-04
Mark
Abraham
Fix recent tpr chang
e
commit
|
commitdiff
|
tree
2015-09-03
Mar
k
A
braham
N
ev
e
r operate on fo
r
ce array in
.
tpr
commit
|
commitdiff
|
tree
2015-08-28
Mark Abraham
Keep
hw_op
t
more con
s
t
commit
|
commitdiff
|
tree
2015-08-19
Mark Abrah
a
m
Harden FindSphinx
.
cmake
commit
|
commitdiff
|
tree
2015-08-17
Mark Abraham
Remove infrastruct
u
re
f
or
gmx protonate
commit
|
commitdiff
|
tree
2015-08-14
M
a
rk Abraham
Merg
e
br
a
nch release-
5
-1 into master
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Bump patch
v
ersion to prepare for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mark
A
braham
Version 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Mak
e
it
e
as
i
e
r to find
selection help
commit
|
commitdiff
|
tree
2015-08-13
Mark Ab
r
aham
Make it easier to find selec
t
ion he
l
p
commit
|
commitdiff
|
tree
2015-08-13
Mar
k
Abraham
Re-
e
nab
l
e mult
i
-
G
PU support i
n
OpenCL for thre
a
d
M
P
I
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk
Abr
a
ham
Docume
n
tation fix
e
s
commit
|
commitdiff
|
tree
2015-08-13
Mark A
b
raham
Avoid FP exceptio
n
with empty
.
mdp fi
l
e
commit
|
commitdiff
|
tree
2015-08-12
Mark
A
braham
Add doc
u
mentation
fo
r
e
n
ergygrps with GPUs
commit
|
commitdiff
|
tree
2015-08-12
M
a
rk A
b
raha
m
Add to author
lists
commit
|
commitdiff
|
tree
2015-08-11
Mark Abraha
m
A
bort if
PME
tuning
is a
c
tive and counters rese
t
commit
|
commitdiff
|
tree
2015-08-10
M
ark Abraham
Require tune_pme to take -mdrun
paramet
e
r
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Merge
b
ranch rele
a
se-5-0 into r
e
l
ease
-
5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Fix docs of ftypes of dihedral
s
commit
|
commitdiff
|
tree
2015-08-06
Mark
A
br
a
ham
Fi
x
F
indNVML
.
cmake
commit
|
commitdiff
|
tree
2015-08-06
M
a
rk Abra
h
am
Fix thread
-
a
ffinity c
h
ecki
n
g
commit
|
commitdiff
|
tree
2015-08-05
Ma
r
k
Abraham
Fix em d
a
sh in new reference
commit
|
commitdiff
|
tree
2015-08-04
Mar
k
Abraham
M
erge r
e
le
a
se-5-0 in
t
o rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark
Abraham
Fix
u
se of
w
rongly-
n
amed G
C
C minor
-
versi
o
n variable
commit
|
commitdiff
|
tree
2015-08-03
Mar
k
A
braham
Fi
x
possible li
n
k
ing of l
i
bxm
l
2 to
z
li
b
commit
|
commitdiff
|
tree
2015-07-26
M
ark Abrah
a
m
Convert
s
ome
m
drun uti
l
ity code to C++
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Mer
g
e
branch rel
e
ase-5-0
i
nto releas
e
-5-1
commit
|
commitdiff
|
tree
2015-07-26
Mark Abra
h
am
Stop mdru
n
printi
n
g
p
otent
i
ally un
d
efined value
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Ver
s
ion b
u
mps after ne
w
rele
a
se
commit
|
commitdiff
|
tree
2015-07-24
Mark
Abraham
M
e
rge branc
h
release-5-
1
commit
|
commitdiff
|
tree
2015-07-24
Mark Abraham
Ve
r
sio
n
5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mark Abraham
Update
a
dvic
e
about grom
p
p
-t
commit
|
commitdiff
|
tree
2015-07-14
Mark
Abraham
Converte
d
gmxpreprocess
to
compile as C++
commit
|
commitdiff
|
tree
2015-07-08
Mark Abraham
Give
bTypePe
r
turbed a valid i
n
itial v
a
l
u
e
commit
|
commitdiff
|
tree
2015-07-08
Ma
r
k Abraham
Fix grompp
.
edr I
O
estimat
e
for free-ene
r
gy calcs
commit
|
commitdiff
|
tree
2015-07-06
Mark A
b
ra
h
am
First 5
.
1 rele
a
se
candidate
commit
|
commitdiff
|
tree
2015-07-03
Mark
Abraham
Fix ThreadMPI GPU as
s
umpti
o
ns
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk
Abraham
Document how to add and
u
se
NVML s
u
pport
commit
|
commitdiff
|
tree
2015-06-30
M
a
r
k
Abraham
Avoid GPU
d
ata r
a
ce also with OpenCL
commit
|
commitdiff
|
tree
2015-06-30
Mark Abrah
a
m
Add support for flushing
WDDM queue
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Merge "Mer
g
e bran
c
h rele
a
se-5-0"
commit
|
commitdiff
|
tree
2015-06-29
Mark A
b
r
a
ha
m
Merge branch release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark A
b
rah
a
m
Documented build
types
in developer guide
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k Abraham
Merge release-4-6 into
release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark
A
braham
Add MSAN build type
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Fix all use of nbnxn_si
m
d
.
h
commit
|
commitdiff
|
tree
2015-06-27
Mark Abraham
Merg
e
rel
e
ase-5-
0
into
m
aster
commit
|
commitdiff
|
tree
2015-06-26
Mark A
b
raham
Merge rele
a
se-4-6 into r
e
lease-5-0
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
Fix mdrun -confout sometimes a
f
fecting final
.
edr fra
m
e
commit
|
commitdiff
|
tree
2015-06-25
Mark Abraha
m
Merge "Merg
e
release-5-0 into mast
e
r"
commit
|
commitdiff
|
tree
2015-06-25
Mark Abraham
Merge relea
s
e-5-0 i
n
t
o
master
commit
|
commitdiff
|
tree
2015-06-24
Mark A
b
raham
Merge relea
s
e-4-6 into rel
e
ase-5-0
commit
|
commitdiff
|
tree
2015-06-18
M
a
rk Abr
a
ham
Fix typo in GMX
_
BUILD_OWN_FFTW mes
s
age
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraha
m
S
top people
i
nstal
l
ing into
the buil
d
tree
commit
|
commitdiff
|
tree
2015-06-16
Mark Abraham
Move c
o
d
e
for
m
a
n
a
ging mdru
n
-cpi a
n
d -ap
p
end
commit
|
commitdiff
|
tree
2015-06-16
Ma
r
k
A
braham
F
i
x pai
r
s_nb
n
ot recognized as part of mole
c
uletype
commit
|
commitdiff
|
tree
2015-06-16
M
a
rk Abraham
Add unit tests for
Arr
a
yRef
commit
|
commitdiff
|
tree
2015-06-12
Mark Abraham
Fix comm
a
n
d
l
i
n
e te
s
t
d
a
ta
commit
|
commitdiff
|
tree
2015-06-11
M
ark Abraham
Merg
e
"Me
r
ge branch re
l
ease-4-6 into release
-
5-0"
into
.
.
.
commit
|
commitdiff
|
tree
2015-06-11
Ma
r
k Abraham
Hand
l
e timing b
e
t
t
er i
n
Je
n
k
i
ns
commit
|
commitdiff
|
tree
2015-06-11
M
a
rk Abraham
C
le
a
n up vsite interaction
clea
n
-u
p
code
commit
|
commitdiff
|
tree
2015-06-09
Mar
k
Abraham
Document limitations of t
r
jconv -du
m
p
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
M
e
rge
b
ranch rel
e
as
e
-4-6 into relea
s
e-5-0
commit
|
commitdiff
|
tree
2015-06-05
Mark Abraham
Re
m
ove
gmx_
s
imd_check_and_rese
t
_overflow
commit
|
commitdiff
|
tree
2015-06-04
Mark Abraham
F
ix
naming fro
m
"Gromac
s
" to "GROM
A
CS"
commit
|
commitdiff
|
tree
2015-05-27
Mark Abraham
Fix warnings from
G
CC 5
commit
|
commitdiff
|
tree
2015-05-26
Mark Abraha
m
Avoid po
s
sibl
e
flo
a
ting-point e
x
ception
commit
|
commitdiff
|
tree
2015-05-26
Mark Ab
r
aham
Conve
r
t ewald modu
l
e
to
C
++
commit
|
commitdiff
|
tree
2015-05-26
Ma
r
k A
b
raham
Fix us
e
of hard-coded tem
p
orary filename
commit
|
commitdiff
|
tree
2015-05-23
Mark Abraham
Fix mi
s
use
of gmx_s
i
m
d_check
_
and_
r
eset
_
o
v
erfl
o
w
commit
|
commitdiff
|
tree
2015-05-21
M
a
r
k
Abra
h
am
Add integrati
o
n test for empt
y
domain
commit
|
commitdiff
|
tree
2015-05-19
Mark Abraham
Add check
s
for cor
r
ect
use of SIMD headers
.
commit
|
commitdiff
|
tree
2015-05-19
Mark Abraham
Refactor FFTW
s
et
u
p
commit
|
commitdiff
|
tree
2015-05-17
Mark Abraham
Merge b
r
a
nch origin/r
e
l
ease
-
5-0
commit
|
commitdiff
|
tree
2015-05-16
Mark Abra
h
am
Suppr
e
ss
GCC
5
warnings w
i
th in
t
ernal Boost
commit
|
commitdiff
|
tree
2015-05-14
Mark
Abraha
m
Fix own-FFTW build
commit
|
commitdiff
|
tree
2015-05-13
Mark Abraham
Versi
o
n bumps after new release
commit
|
commitdiff
|
tree
2015-05-13
M
a
r
k
Abraham
Vers
i
on 5
.
0
.
5
commit
|
commitdiff
|
tree
2015-05-12
Mar
k
Ab
r
aham
F
ix u
n
initi
a
lized fields in grompp t
_
sta
t
e
commit
|
commitdiff
|
tree
2015-05-11
Mark A
b
raham
Wo
r
k
around
gcc 5 warnin
g
s
w
ith G
o
ogle Test
commit
|
commitdiff
|
tree
2015-05-10
M
a
r
k
Abraham
Merge
"Merge br
a
nc
h
release-5
-
0"
commit
|
commitdiff
|
tree
next