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
Refactor error handling in init_gpu
2016-10-19
Mark Abr
a
ham
U
pgrad
e
coverage ma
t
ri
x
.
commit
|
commitdiff
|
tree
2016-10-18
M
a
rk A
b
raham
Fix SIMD s
u
g
gestion for VMX
commit
|
commitdiff
|
tree
2016-10-12
Ma
r
k
A
braham
Make r
e
gressiontests updater
build work
for mast
e
r
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Mark Abr
a
h
a
m
U
pdate for
F
FTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
M
ark Abraham
Merge "Merge b
r
anch releas
e
-20
1
6"
commit
|
commitdiff
|
tree
2016-10-09
Mar
k
Abraham
M
e
rge
branch releas
e
-
2
016
commit
|
commitdiff
|
tree
2016-10-07
Ma
r
k
A
braham
Ad
d
s
c
r
i
pt for Jenkins r
e
gressiontest
u
pdate job
commit
|
commitdiff
|
tree
2016-10-03
Mark Ab
r
aham
Merge bran
c
h release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-10-03
M
ark Abraham
Repl
a
c
e use of deprecated r
e
addir
_
r
commit
|
commitdiff
|
tree
2016-09-12
Mar
k
Abraham
Preliminar
y
c
le
a
n up of NVML code
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
Abraham
M
e
rge branch rel
e
as
e
-5-1 into re
l
e
ase
-
2016
commit
|
commitdiff
|
tree
2016-09-08
Mark A
b
raham
Bumped
p
atch nu
m
ber
to
prepare for future 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Mark
Abra
h
am
Ve
r
sion 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed H
I
S1 from oplsaa
an
d
charmm de
f
initions
commit
|
commitdiff
|
tree
2016-09-07
Mar
k
A
b
raham
Fix LYN charges in
a
mbe
r
03
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraha
m
Fix amber03 HIP charges
commit
|
commitdiff
|
tree
2016-09-06
M
a
rk Abraham
Wo
r
k arou
n
d glibc 2
.
23 w
i
th CUDA
commit
|
commitdiff
|
tree
2016-08-27
M
ark Abraham
Stop usin
g
gmx_fatal in grompp
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remov
e
hacks for o
u
t
d
ated
B
l
u
e
Gene su
p
por
t
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Merge branch release-
2
016
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
F
i
xes fo
r
BG/Q platform
fi
l
es
and in
s
tall guide
commit
|
commitdiff
|
tree
2016-08-12
Mar
k
Abraham
B
u
mp nu
m
be
r
t
o prepare
f
or
f
irst patch release
commit
|
commitdiff
|
tree
2016-08-04
Mark Abr
a
ham
Version 20
1
6
commit
|
commitdiff
|
tree
2016-07-29
Mark Ab
r
aham
Improve handli
n
g of gmock and g
c
c6
commit
|
commitdiff
|
tree
2016-07-29
Mark
A
braham
Merg
e
bra
n
ch
re
l
e
a
se
-
5-1
in
t
o release-2016
commit
|
commitdiff
|
tree
2016-07-28
M
a
rk Abr
a
ham
Add toolchain
f
lag
s
for
SSE
2
co
m
pilation
commit
|
commitdiff
|
tree
2016-07-21
Ma
r
k Abraham
Bumped patc
h
n
u
mber to
prepare f
o
r future
5
.
1
.
4 re
l
ease
commit
|
commitdiff
|
tree
2016-07-14
M
ark Ab
r
aham
Fix issue
s
with using int
f
or nu
m
ber of step
s
commit
|
commitdiff
|
tree
2016-07-13
Mar
k
Abraham
V
ersion 5
.
1
.
3
commit
|
commitdiff
|
tree
2016-07-12
Mark Ab
r
aham
Merge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2016-07-12
M
ark Ab
r
aham
Fix
trr magic numbe
r
reading
commit
|
commitdiff
|
tree
2016-07-11
M
ark Abraham
Fix gmx mdru
n
-membed -ntmpi -1
commit
|
commitdiff
|
tree
2016-07-11
Mark Abra
h
am
F
ix
r
egressiontest downl
o
ad md5s
u
m
commit
|
commitdiff
|
tree
2016-07-09
Mark Abra
h
am
First 2016 release candidate
commit
|
commitdiff
|
tree
2016-07-08
Mark Abraham
Merge branch release-5-1 int
o
relea
s
e-2016
commit
|
commitdiff
|
tree
2016-07-08
M
a
rk
A
b
raham
Simplif
y
SIMD compiler flag construction
commit
|
commitdiff
|
tree
2016-07-07
M
a
rk
A
bra
h
am
Move consistency check for
n
umber
o
f
t
hre
a
ds
commit
|
commitdiff
|
tree
2016-07-07
M
a
rk Abr
a
h
am
Fix buil
d
if libcuda is found but nvcc is not
commit
|
commitdiff
|
tree
2016-07-04
Mark
A
braha
m
Fixes for Pow
e
r7 big-end
i
an
commit
|
commitdiff
|
tree
2016-07-01
M
ar
k
Abraha
m
Fix
use of _POS
I
X_THREAD*
commit
|
commitdiff
|
tree
2016-06-30
M
a
r
k Ab
r
a
h
am
Merge branch relea
s
e-5-1 into release-20
1
6
commit
|
commitdiff
|
tree
2016-06-29
Ma
r
k Abraham
R
e
factor sysconf checking
commit
|
commitdiff
|
tree
2016-06-29
Mark Abraham
W
ork a
r
o
und glibc 2
.
23 with CUDA
commit
|
commitdiff
|
tree
2016-06-28
Mark Abraham
U
pda
t
e
t
o
include a
gcc 6
.
1 confi
g
urati
o
n
commit
|
commitdiff
|
tree
2016-06-28
Ma
r
k Abraham
F
i
x SIM
D
configuration ma
n
agement
commit
|
commitdiff
|
tree
2016-06-27
M
a
rk
A
b
raham
Remove
d
unnec
e
ssary
i
nter-simulation signalling
commit
|
commitdiff
|
tree
2016-06-27
Mark Abraham
M
erge br
a
nc
h
rel
e
ase-5-1 i
n
to r
e
lease-2016
commit
|
commitdiff
|
tree
2016-06-23
Mark
A
b
r
aha
m
M
erge branch release
-
201
6
commit
|
commitdiff
|
tree
2016-06-23
Mark Ab
r
aham
Al
l
o
w
use
o
f external lmfi
t
p
a
ckage
commit
|
commitdiff
|
tree
2016-06-23
Mark Abraham
Prevent use
o
f mdrun -
m
axh -multi
commit
|
commitdiff
|
tree
2016-06-22
Mark Abr
a
ha
m
Fix
c
onfiguration
-
t
ime cpuinf
o
code
commit
|
commitdiff
|
tree
2016-06-22
M
ark A
b
ra
h
am
Merg
e
branch re
l
ease-5
-
1 into rele
a
se-
2
01
6
commit
|
commitdiff
|
tree
2016-06-22
Mark Abraham
A
d
jus
t
a
nd docume
n
t C++11 co
m
piler tests
commit
|
commitdiff
|
tree
2016-06-20
Mark A
b
raham
U
pdate pre
-
submit ma
t
rix content
s
commit
|
commitdiff
|
tree
2016-06-19
Mark
A
braham
Improve docs for linki
n
g
stdlibc++ need
e
d by
ic
c
commit
|
commitdiff
|
tree
2016-06-17
Mark
Abraham
Merge branch r
e
lease-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark
A
braham
F
ix multi-sim + DD + s
i
mpl
e
distance
r
estraints
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
Find p
y
t
hon for docs build quietly
commit
|
commitdiff
|
tree
2016-06-08
Mark Ab
r
aham
Merge
b
r
anch release-5-1 into
r
eleas
e
-2016
commit
|
commitdiff
|
tree
2016-06-07
M
a
rk Ab
r
ah
a
m
Re-add support
for linking
a
gainst external T
i
n
y
XML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraha
m
Upd
a
tes to
d
ocumentat
i
on
commit
|
commitdiff
|
tree
2016-06-02
Mark Abr
a
h
a
m
Fix compatibility
with old
e
r CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark A
b
raham
Make more CMake varia
b
les advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark
A
braha
m
I
g
n
ore std
e
rr when
d
etecting
SIMD and build
i
nfo
commit
|
commitdiff
|
tree
2016-05-31
M
a
r
k
Abraham
Fix
r
eference to
vmdio
.
c to be vmdio
.
cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark
A
brah
a
m
Se
c
ond 2016 beta release
commit
|
commitdiff
|
tree
2016-05-29
Mark Ab
r
aham
Simplified and update
d
Op
e
nCL
compilati
o
n
commit
|
commitdiff
|
tree
2016-05-27
Mark Abra
h
a
m
Fi
x
r
e
ading of bonded ta
b
les
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
New
q
uo
t
e
commit
|
commitdiff
|
tree
2016-05-26
Mark Ab
r
a
ha
m
M
e
rge b
r
anch release-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Ab
r
aham
Merg
e
branch release-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
G
ROMAC
S
2016 beta1 release
commit
|
commitdiff
|
tree
2016-05-10
Mark
A
braham
Bump
c
lan
g
static
a
n
alyzer to version 3
.
8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Mi
n
o
r
u
pdate
t
o s
p
hinx dependenc
y
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
F
ac
i
litate linkin
g
with
libcxx
commit
|
commitdiff
|
tree
2016-05-08
Mark
A
braham
Fixes for clang 3
.
7 on
P
owerPC
commit
|
commitdiff
|
tree
2016-05-08
Mark A
b
raham
F
i
x constants, units and conversion factors
commit
|
commitdiff
|
tree
2016-04-27
M
a
rk Ab
r
a
ham
Merg
e
b
r
anch
r
elease-5-1
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Replace libxml2
w
ith
ti
n
yxml2 for use in test co
d
e
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix parse
_
digit
s
_from_strin
g
commit
|
commitdiff
|
tree
2016-04-19
M
a
rk Ab
r
aham
Fix mdp labe
l
gen
e
ration
commit
|
commitdiff
|
tree
2016-04-18
M
ark Abraham
R
educe compilation c
o
u
p
ling of
SIMD mod
u
l
e
commit
|
commitdiff
|
tree
2016-04-14
Mark Abraham
Merge branch releas
e
-5-1
commit
|
commitdiff
|
tree
2016-04-01
Mark Abraham
Revert to treatin
g
-
1
as
"ge
n
e
r
ate
a seed" in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
Mark Abr
a
ham
Add test and improved docs for custom checkSequence
commit
|
commitdiff
|
tree
2016-03-30
Mark Abraham
Clean up vs
i
te code
commit
|
commitdiff
|
tree
2016-03-19
Mark Abrah
a
m
Add more const
correctness
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Fix w
a
r
ning fro
m
G
C
C
6
commit
|
commitdiff
|
tree
2016-03-19
Mark
A
braham
I
m
proved some mdrun integ
r
ation tests
commit
|
commitdiff
|
tree
2016-03-18
M
ark
A
b
rah
a
m
Warn about
O
penMPI
1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
Mark Abraham
Fix typo in Fou
r
i
e
r dihedra
l
equatio
n
commit
|
commitdiff
|
tree
2016-03-15
M
a
rk Abraham
M
e
r
g
e br
a
nch release
-
5-
0
in
t
o release-5-1
commit
|
commitdiff
|
tree
2016-03-12
Mark
Abraham
Update use of isnan
i
n linearalgebra
commit
|
commitdiff
|
tree
2016-03-12
M
ark Abraham
Find
h
wloc quietly if
it's already b
e
en foun
d
commit
|
commitdiff
|
tree
2016-03-11
Mark Abrah
a
m
Add infrastructu
r
e
f
or tests
t
o compare m
d
ru
n
s
commit
|
commitdiff
|
tree
2016-03-11
Mark Abraha
m
Merg
e
br
a
nch r
e
lease-5-0 into r
e
lease-5-1
commit
|
commitdiff
|
tree
2016-03-10
Mark Ab
r
ah
a
m
R
e
quire 2015 version for MSV
C
commit
|
commitdiff
|
tree
2016-03-05
M
ark Abraham
Add SETTLE
u
nit tests
commit
|
commitdiff
|
tree
2016-02-26
Mark Abr
a
h
a
m
S
eparated test of
C
D
ATA end
t
ag handling from others
commit
|
commitdiff
|
tree
2016-02-23
Ma
r
k
A
braham
Replace cppcheck sup
p
ress
i
on in checkp
o
int co
d
e
commit
|
commitdiff
|
tree
next