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
Update use of isnan in linearalgebra
2016-03-12
M
a
rk Abra
h
am
Update use of
isnan in linearalgebr
a
commit
|
commitdiff
|
tree
2016-03-12
Mark Abra
h
am
Find hwloc quietl
y
i
f
it's
alrea
d
y
been found
commit
|
commitdiff
|
tree
2016-03-11
Mark Abraham
Add infra
s
t
r
u
ctur
e
for t
e
sts t
o
c
o
mpare mdruns
commit
|
commitdiff
|
tree
2016-03-10
Mark Ab
r
aham
Require
2015
version for MSVC
commit
|
commitdiff
|
tree
2016-03-05
Mark
A
braham
Add
SETTLE unit tests
commit
|
commitdiff
|
tree
2016-02-26
M
a
rk Abraham
Se
p
arate
d
test of CDATA e
n
d
tag handling from ot
h
e
rs
commit
|
commitdiff
|
tree
2016-02-23
Mark Abraham
Replace cpp
c
heck suppression i
n
checkpoint code
commit
|
commitdiff
|
tree
2016-02-22
M
a
r
k Abraham
Move init of
s
peciali
z
ed
dy
n
amical algori
t
hms to
d
o
_
m
d
commit
|
commitdiff
|
tree
2016-02-21
Mark Ab
r
aham
S
e
pa
r
ate table cons
t
r
u
ction
commit
|
commitdiff
|
tree
2016-02-19
Mark
Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-02-19
Mark A
b
raham
Make both
f
tp and ht
t
p lin
k
s for s
o
u
rce dow
n
loa
d
commit
|
commitdiff
|
tree
2016-02-18
Mar
k
Abraham
Updated
ref
e
re
n
ce manua
l
te
x
t ab
o
ut PME tunin
g
commit
|
commitdiff
|
tree
2016-02-16
M
a
r
k
Abraham
M
e
rge branc
h
rele
a
se-5-0 int
o
re
l
ease-5-
1
commit
|
commitdiff
|
tree
2016-02-14
Mar
k
Abraham
Re-gene
r
ated
eps for
f
igure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark
Abra
h
am
Re-re
m
o
v
e
*
_sto
c
hd
_
state fun
c
tio
n
declar
a
tions
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
I
m
prove
d
updat
e
_coords handling of xprime
commit
|
commitdiff
|
tree
2016-02-10
Mark A
b
raha
m
Fix is
s
ues
t
o update c
p
pchec
k
suppor
t
to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Ma
r
k A
b
raham
M
e
r
ge branch release-5-0 into release-5-
1
commit
|
commitdiff
|
tree
2016-02-06
M
a
r
k Abrah
a
m
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
B
u
mped pat
c
h nu
m
ber t
o
prepare for
f
u
t
u
r
e
5
.
1
.
3 release
commit
|
commitdiff
|
tree
2016-02-03
Mark Ab
r
aham
V
e
rsion 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix grompp not warning
when
.
m
dp v
a
lues have wrong
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
M
e
rg
e
release-5-0
i
n
t
o
r
el
e
ase-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Fix dEkin/dl handling
w
it
h
multiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Merge branch
r
elease-5-1
commit
|
commitdiff
|
tree
2016-01-28
Mark
Ab
r
a
ham
Fix
use of __APPLE__ in
O
penCL
c
o
d
e
commit
|
commitdiff
|
tree
2016-01-28
Ma
r
k Abraha
m
Add Open
C
L source file types to copyright
c
hecker
commit
|
commitdiff
|
tree
2016-01-28
M
a
rk Abraham
Av
o
id FP excepti
o
n
commit
|
commitdiff
|
tree
2016-01-27
Mark A
b
raham
Merge branch rele
a
se-5
-
1
commit
|
commitdiff
|
tree
2016-01-27
Mark Ab
r
aham
Remove bN
o
tLas
t
Frame
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Ad
d
sugges
t
ion
s
for updatin
g
binutils
commit
|
commitdiff
|
tree
2016-01-26
Mark
A
braham
Fix de
f
ault for GMX_
U
SE_NVML
commit
|
commitdiff
|
tree
2016-01-25
M
ark
A
braha
m
Merge branch r
e
lease-5-1
commit
|
commitdiff
|
tree
2016-01-24
M
a
r
k
Abra
h
am
Fi
x
d
uplicate LaT
e
X equ
a
tion label
commit
|
commitdiff
|
tree
2016-01-24
M
ark
Ab
r
aham
Update refere
n
c
es to HTML and
o
nline
d
ocumentation
commit
|
commitdiff
|
tree
2016-01-14
M
a
r
k Abraha
m
Permit customiz
e
d testing of
grom
p
p and mdrun
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraham
Allo
w
ed
NVML support
t
o be
t
oggled
commit
|
commitdiff
|
tree
2016-01-12
M
a
rk Abra
h
a
m
Merge
b
ranch r
e
l
e
ase-5-0
i
nto r
e
lease
-
5-1
commit
|
commitdiff
|
tree
2016-01-11
Mark Abra
h
am
Im
p
roved update_coor
d
s
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Improve tpr header version handli
n
g
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Merge branch release-5
-
1
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Fix
s
ome m
d
r
un header depe
n
dencies
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
raham
Avoi
d
more C
+
+ bindings
f
o
r MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abra
h
a
m
Doc
u
ment how potentia
l
-switch works
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
S
t
op
u
s
in
g
UND
E
FINED as name of a
symbol
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
A
braham
Remove fields used o
n
l
y
for
S
D2
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
raham
Backport
m
d-vv
f
i
xes
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Remove S
D
2 integrator
commit
|
commitdiff
|
tree
2016-01-06
Mark Abraham
F
i
x spurious
g
cc warn
i
ng
commit
|
commitdiff
|
tree
2016-01-05
Mark A
b
raham
Fix
l
ogic for DD
m
i
s
sing-interactions check
commit
|
commitdiff
|
tree
2016-01-05
Mar
k
Abr
a
ham
Use EXPECT_TRUE a
n
d
E
XPECT_FALSE in new SIMD test
s
commit
|
commitdiff
|
tree
2016-01-04
Mark Abraham
C
ha
n
ge G
M
X
_DOUBLE t
o
be alway
s
d
efined
commit
|
commitdiff
|
tree
2015-12-28
Mar
k
Abr
a
ham
Create
invertmatrix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mar
k
A
b
raham
Merge branch
release-5-
1
commit
|
commitdiff
|
tree
2015-12-27
M
a
rk Abra
h
am
Fix some OpenCL i
s
su
e
s
commit
|
commitdiff
|
tree
2015-12-24
Mark
Abraham
Moved
r
espons
i
b
ility
for f_
g
lobal
commit
|
commitdiff
|
tree
2015-12-24
M
ark Abraham
Shell code
cleanup
commit
|
commitdiff
|
tree
2015-12-17
Mark Abraham
Simpl
i
fied energy-summation code
commit
|
commitdiff
|
tree
2015-12-12
Mark Abra
h
am
Broke u
p
c
o
pyright
.
*
commit
|
commitdiff
|
tree
2015-12-12
Mark Abraham
Re
q
u
ire
N
ose
-
Hoov
e
r with MTTK
commit
|
commitdiff
|
tree
2015-12-11
Mark Abraham
Stop global
c
ommunication
depending on integrator
commit
|
commitdiff
|
tree
2015-12-10
Mark Abra
h
am
Merge branch 'origin
/
re
l
ease-
5
-1'
commit
|
commitdiff
|
tree
2015-12-09
Ma
r
k Abraham
Update use of preproces
s
or in
m
anaging
GPU su
p
port
commit
|
commitdiff
|
tree
2015-12-08
Mark
A
braham
M
erge bra
n
ch 'releas
e
-5
-
0' in
t
o release-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Fix Trotter i
n
tegra
t
ion
commit
|
commitdiff
|
tree
2015-12-03
Mark Abraha
m
Remove md
r
u
n -comp
a
ct
commit
|
commitdiff
|
tree
2015-12-02
Mark Ab
r
aham
Remove twi
n
-
range scheme
commit
|
commitdiff
|
tree
2015-11-30
Mark Abra
h
am
Refactor
h
ard
w
are informati
o
n management
commit
|
commitdiff
|
tree
2015-11-25
Mark Abra
h
am
Fix log
i
c of dd_prin
t
_missing_
i
nte
r
actio
n
s exit
commit
|
commitdiff
|
tree
2015-11-24
M
ark Abraham
Fix e
r
ror in mu
l
ti-sim communi
c
ation
commit
|
commitdiff
|
tree
2015-11-23
Mark Abraham
Update
a
nd expand pre-submit commi
t
matrix
commit
|
commitdiff
|
tree
2015-11-22
M
a
r
k
Abraham
F
ix generi
c
group-scheme
kernel t
a
ble dere
f
e
rencing
commit
|
commitdiff
|
tree
2015-11-20
Mark
Abraham
Spl
i
t wallc
y
cle interfac
e
commit
|
commitdiff
|
tree
2015-11-20
Ma
r
k Abraham
Remo
v
e
ewcWAIT_GPU_NB_L_EST
commit
|
commitdiff
|
tree
2015-11-19
Mark Ab
r
aha
m
Sim
p
lified
ini
t
and mdrun
c
o
de
commit
|
commitdiff
|
tree
2015-11-16
Mark Ab
r
ah
a
m
Fix u
s
e of #i
f
vs
#i
f
def
commit
|
commitdiff
|
tree
2015-11-16
Mark
Abrah
a
m
Remo
v
e t_a
d
ress
commit
|
commitdiff
|
tree
2015-11-16
Mark Abrah
a
m
Fix AlignedAllocator
with MSVC2015 debug m
o
de
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraha
m
Remo
v
ed state_
g
lobal
f
rom m
d
r
u
n e
n
e
r
gy-
s
ummatio
n
commit
|
commitdiff
|
tree
2015-11-16
M
ark Abr
a
ham
Remove "
s
u
p
por
t
" for
tw
i
n-range with VV inte
g
rators
commit
|
commitdiff
|
tree
2015-11-16
Ma
r
k Abrah
a
m
Merge br
a
n
c
h release-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark
A
braham
R
emove AdResS
commit
|
commitdiff
|
tree
2015-11-15
Mark Abraham
Move responsibili
t
y for FF
T
descrip
t
ion
s
tring
commit
|
commitdiff
|
tree
2015-11-14
Mark Abrah
a
m
Mov
e
d all cool
s
tuff to its own file
commit
|
commitdiff
|
tree
2015-11-14
Mark
A
br
a
ham
Fix wal
l
time mea
s
ur
e
ment wit
h
bgclang
commit
|
commitdiff
|
tree
2015-11-13
Mark Abr
a
ham
Upd
a
te includesorter
.
py
commit
|
commitdiff
|
tree
2015-11-11
Mark
A
braham
Merge
rele
a
s
e-5-0 into re
l
ease-5-1
commit
|
commitdiff
|
tree
2015-11-10
M
ark Abraham
B
u
mp patch ver
s
ion to
pr
e
pare for 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-05
Mark Abra
h
a
m
Move DD has
h
ing to domdec module
commit
|
commitdiff
|
tree
2015-11-05
Mark Abraham
Han
d
le
a
nother unused variable
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Permit matrix bui
l
d
w
i
t
h
RelWith
D
ebI
n
f
o set
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Merge bra
n
ch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
M
a
r
k
A
braha
m
E
ven less moving
f
rom uni
q
ue_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
braham
Vers
i
on
5
.
1
.
1
commit
|
commitdiff
|
tree
2015-11-04
Mark
A
braham
F
ix icc
1
6
issues
commit
|
commitdiff
|
tree
2015-11-04
Mark
Abraham
Stop mo
v
i
n
g f
r
o
m unique_ptr when
co
p
y
e
li
s
io
n
w
orks
commit
|
commitdiff
|
tree
2015-11-03
Mark Abraham
Quiet warnin
g
s with clan
g
-
3
.
7
commit
|
commitdiff
|
tree
2015-11-03
M
a
rk Abraham
Mer
g
e
b
ranch releas
e
-5-1
commit
|
commitdiff
|
tree
2015-11-02
Mark Abraham
Repl
a
ce boost::
s
hare
d
_ptr wi
t
h std::shared_pt
r
commit
|
commitdiff
|
tree
2015-10-28
M
a
rk Abraham
Use d
e
fault alignm
e
nt for
OpenCL host buffer
commit
|
commitdiff
|
tree
next