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
Avoid FP exception
2016-01-28
Mark A
b
raha
m
Avoid FP
e
x
ce
p
tion
commit
|
commitdiff
|
tree
2016-01-27
M
a
rk Abraham
Remove bNo
t
LastF
r
a
me
commit
|
commitdiff
|
tree
2016-01-25
M
ark Abraham
Me
r
ge
b
ranch r
e
lease
-
5-
1
commit
|
commitdiff
|
tree
2016-01-24
Mar
k
Abrah
a
m
Update references
to
HTM
L
and
o
nline d
o
cumentation
commit
|
commitdiff
|
tree
2016-01-14
Mark A
b
r
a
h
a
m
Permit cus
t
omized te
s
ting of grompp
a
nd mdrun
commit
|
commitdiff
|
tree
2016-01-13
M
a
rk Abraham
Al
l
owed NVML supp
o
rt to be toggled
commit
|
commitdiff
|
tree
2016-01-12
Mark Abraham
M
e
rge branch release-5-0 into release-
5
-1
commit
|
commitdiff
|
tree
2016-01-11
Mark Abraham
Improved
update_coords
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Improve tpr header version handling
commit
|
commitdiff
|
tree
2016-01-08
Mar
k
Abra
h
am
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k A
b
raham
F
ix some m
d
r
u
n header
d
ependencies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
A
v
o
id more C+
+
b
i
ndings for MPI
commit
|
commitdiff
|
tree
2016-01-07
M
ark Ab
r
ah
a
m
Document how potential-switc
h
works
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
raham
Stop usin
g
UNDE
F
INED a
s
n
a
m
e
of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Remove field
s
used o
n
l
y
for SD
2
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
B
a
ckport md-vv
f
ixes
commit
|
commitdiff
|
tree
2016-01-07
Mark Abra
h
a
m
Remove
S
D2 integrator
commit
|
commitdiff
|
tree
2016-01-06
M
a
rk Abraham
Fix spu
r
ious gcc warning
commit
|
commitdiff
|
tree
2016-01-05
Mark Ab
r
aham
Fix logic
for
D
D
missing-
i
nteractions che
c
k
commit
|
commitdiff
|
tree
2016-01-05
M
ark Abra
h
am
U
s
e E
X
PECT_TR
U
E and
EXPECT_FALSE
in new SIMD tests
commit
|
commitdiff
|
tree
2016-01-04
Ma
r
k Abraham
C
hange GMX_DOUBLE to be always defined
commit
|
commitdiff
|
tree
2015-12-28
Mark
A
b
rah
a
m
Creat
e
i
n
vertma
t
rix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
Merge
bra
n
ch
releas
e
-5
-
1
commit
|
commitdiff
|
tree
2015-12-27
M
ark Abraham
Fix so
m
e OpenCL
i
ssu
e
s
commit
|
commitdiff
|
tree
2015-12-24
Mark Abraham
Moved r
e
spo
n
si
b
ility for f_global
commit
|
commitdiff
|
tree
2015-12-24
Mark Abra
h
am
S
h
ell code cl
e
anup
commit
|
commitdiff
|
tree
2015-12-17
Mark Abraham
Simpl
i
fied energy-summation code
commit
|
commitdiff
|
tree
2015-12-12
Mark
A
braham
Bro
k
e
up c
o
pyright
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark Abraham
Require Nos
e
-Ho
o
ver w
i
th MTTK
commit
|
commitdiff
|
tree
2015-12-11
Mar
k
Ab
r
aham
Stop global comm
u
nica
t
ion depending on integrator
commit
|
commitdiff
|
tree
2015-12-10
M
a
rk Abraham
Merge b
r
a
nch 'origin/re
l
eas
e
-5-1'
commit
|
commitdiff
|
tree
2015-12-09
Mark Ab
r
aha
m
Up
d
at
e
use
o
f preprocesso
r
i
n
m
a
nagi
n
g GPU
support
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraha
m
Merge branch 'rel
e
a
s
e-5-0'
i
nto
rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abra
h
am
Fix Trotte
r
int
e
g
ra
t
i
o
n
commit
|
commitdiff
|
tree
2015-12-03
Mark Abraham
Rem
o
ve mdr
u
n -c
o
mpact
commit
|
commitdiff
|
tree
2015-12-02
Mark Abr
a
ham
Remove t
w
i
n
-range sch
e
me
commit
|
commitdiff
|
tree
2015-11-30
Mark A
b
raham
Refactor h
a
rd
w
are informat
i
o
n
managemen
t
commit
|
commitdiff
|
tree
2015-11-25
Mar
k
Abraham
Fix logi
c
of
d
d_print_mi
s
s
ing_interactions
e
x
i
t
commit
|
commitdiff
|
tree
2015-11-24
M
a
rk
A
b
raham
Fix error in mult
i
-sim comm
u
nication
commit
|
commitdiff
|
tree
2015-11-23
Mark
A
braham
Upd
a
te and expa
n
d
p
re
-
submit comm
i
t
m
at
r
ix
commit
|
commitdiff
|
tree
2015-11-22
Mark Abrah
a
m
Fix generic group-scheme kern
e
l table derefe
r
encing
commit
|
commitdiff
|
tree
2015-11-20
Mark Abra
h
am
Split wallcycle interf
a
ce
commit
|
commitdiff
|
tree
2015-11-20
Mark Abr
a
ham
Remove e
w
cWAIT_GPU_
N
B_
L
_EST
commit
|
commitdiff
|
tree
2015-11-19
Mark Abraham
Simp
l
ifi
e
d init and mdrun code
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Fix use o
f
#if
vs #i
f
de
f
commit
|
commitdiff
|
tree
2015-11-16
Mark
A
braham
R
emov
e
t
_
adress
commit
|
commitdiff
|
tree
2015-11-16
Mark Abrah
a
m
Fix A
l
ig
n
edAlloc
a
tor with MSVC2015 debug mode
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Re
m
oved state
_
globa
l
from mdrun
e
nergy-su
m
mation
commit
|
commitdiff
|
tree
2015-11-16
Mar
k
Abraham
Rem
o
ve "
s
upport"
for t
w
in-ran
g
e with
VV integrators
commit
|
commitdiff
|
tree
2015-11-16
M
a
rk
Abraha
m
Merge
b
ran
c
h release-5-1
commit
|
commitdiff
|
tree
2015-11-15
M
ark Abraham
Remove
AdResS
commit
|
commitdiff
|
tree
2015-11-15
M
a
rk Abraham
Move re
s
ponsibility
f
o
r F
F
T
d
escri
p
t
i
on string
commit
|
commitdiff
|
tree
2015-11-14
Mark Ab
r
aham
Mo
v
ed all cool stuff
t
o its ow
n
file
commit
|
commitdiff
|
tree
2015-11-14
Mark Ab
r
aham
Fix walltime measurement with bgc
l
ang
commit
|
commitdiff
|
tree
2015-11-13
Ma
r
k
Abraham
Update i
n
cludes
o
rter
.
py
commit
|
commitdiff
|
tree
2015-11-11
Ma
r
k Abra
h
am
Me
r
ge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abr
a
h
a
m
B
u
mp patch version to
prepare for
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abra
h
am
Move
DD
h
a
shing to domde
c
module
commit
|
commitdiff
|
tree
2015-11-05
Mark
A
brah
a
m
Handl
e
a
no
t
her unuse
d
var
i
able
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
braham
Permit matrix b
u
ild with
R
e
lWithDe
b
Info
s
et
commit
|
commitdiff
|
tree
2015-11-04
M
a
r
k
Abra
h
am
M
erge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark A
b
raham
Even less moving from unique
_
ptr
commit
|
commitdiff
|
tree
2015-11-04
M
ark Abraha
m
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark A
b
raham
Fix icc 16 issues
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Stop
moving
from unique_ptr wh
e
n
c
o
p
y elision works
commit
|
commitdiff
|
tree
2015-11-03
Mark Abra
h
am
Q
u
iet
warni
n
gs with clang-3
.
7
commit
|
commitdiff
|
tree
2015-11-03
Mark Abraham
Me
r
ge bran
c
h
r
eleas
e
-5-1
commit
|
commitdiff
|
tree
2015-11-02
Ma
r
k Abraham
Replace
boo
s
t
::sha
r
e
d
_ptr with st
d
:
:
shar
e
d_ptr
commit
|
commitdiff
|
tree
2015-10-28
M
a
r
k
Abraha
m
U
s
e
default alignment for OpenCL host buffer
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Separate wallcycle responsibilities
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Sup
p
r
ess warnings when we have OpenCL 2
.
0 s
u
pport
commit
|
commitdiff
|
tree
2015-10-23
Mar
k
Abra
h
am
Im
p
rove implemen
t
ation
o
f
cycle subcounting
commit
|
commitdiff
|
tree
2015-10-19
Mark Abraham
Fix cycle subcounters
commit
|
commitdiff
|
tree
2015-10-16
M
ark Abraham
Add
Jenk
i
ns options matrix to source rep
o
commit
|
commitdiff
|
tree
2015-10-14
M
a
rk Abraham
Merge
r
elease-
5
-0 i
n
t
o
rel
e
ase-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraha
m
Version bumps after release
commit
|
commitdiff
|
tree
2015-10-14
Mark Ab
r
a
ham
Simplify genconf
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
V
e
rsion 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark
Abrah
a
m
Merge branch
r
elease-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-10-09
Mark Abraham
Remove CGLO_RERUNMD
commit
|
commitdiff
|
tree
2015-10-07
Ma
r
k Abraha
m
Merge
branch
release-5-1 int
o
master
commit
|
commitdiff
|
tree
2015-10-07
Mark
Abraham
F
ix
e
d
FF
T
W
detection status message location
commit
|
commitdiff
|
tree
2015-10-05
Mark
Abraham
Merge rele
a
se-5-0 into relea
s
e
-5-1
commit
|
commitdiff
|
tree
2015-10-05
Ma
r
k A
b
r
aham
Merge "Me
r
ge branch
r
e
lease-5-1 int
o
master"
commit
|
commitdiff
|
tree
2015-10-03
Mark Ab
r
aham
Fix Find
F
FTW be
h
avio
u
r
commit
|
commitdiff
|
tree
2015-10-03
Ma
r
k Abra
h
a
m
F
ix mdr
u
n -nb auto -rer
u
n with GPU an
d
ener
g
y groups
commit
|
commitdiff
|
tree
2015-10-02
M
a
r
k Abra
h
am
Tem
p
ora
r
il
y
te
s
t
on a machine with only two GPUs
commit
|
commitdiff
|
tree
2015-09-29
Mark Abrah
a
m
Clean up of tab
l
es c
o
de
commit
|
commitdiff
|
tree
2015-09-29
Mark Ab
r
aham
Move
t
a
b
l
e
s
.
c
to new module and
C++
commit
|
commitdiff
|
tree
2015-09-29
Mark Abraham
Hard-
c
ode fewer things in ta
b
l
e
code
commit
|
commitdiff
|
tree
2015-09-28
Mark Abraham
Eliminate use of typedefs
.
h
in kernel C code
commit
|
commitdiff
|
tree
2015-09-26
Mark A
b
r
a
ha
m
F
i
x reaction-field warning mess
a
ge
commit
|
commitdiff
|
tree
2015-09-16
Ma
r
k
A
braham
Remove GMX_NOCHARGEGROUPS
commit
|
commitdiff
|
tree
2015-09-15
Mark Abraha
m
Mer
g
e branch rele
a
se-5-
1
commit
|
commitdiff
|
tree
2015-09-12
Ma
r
k A
b
raham
C
lean up tpxio
.
c
p
p
commit
|
commitdiff
|
tree
2015-09-09
Mark Abraham
Reduce misuse of fatalerror
.
h
commit
|
commitdiff
|
tree
2015-09-06
Mark Ab
r
aham
A
d
d
GROMACS 5 paper to pa
p
er lists
commit
|
commitdiff
|
tree
2015-09-04
M
a
rk A
b
raham
Fix re
c
ent tpr
c
ha
n
ge
commit
|
commitdiff
|
tree
2015-09-03
M
a
rk Abra
h
am
Never
o
perate on force arra
y
i
n
.
t
p
r
commit
|
commitdiff
|
tree
2015-08-28
Ma
r
k A
b
r
ah
a
m
Keep
hw_opt more con
s
t
commit
|
commitdiff
|
tree
next