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Re-generated eps for figure 4.8
2016-02-14
Mark Abraham
Re-generated eps for figure 4
.
8
commit
|
commitdiff
|
tree
2016-02-08
Mark Abraham
Merge branch
r
elease-
5
-
0 in
t
o releas
e
-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Bumped pa
t
c
h
number to prepare
f
or fu
t
ur
e
5
.
1
.
3
relea
s
e
commit
|
commitdiff
|
tree
2016-02-03
Mark Abr
a
ha
m
Version 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
M
erge
release-5-0 into rel
e
ase-5-1
commit
|
commitdiff
|
tree
2016-01-26
M
a
rk Abraham
Fix default for GMX_USE_N
V
ML
commit
|
commitdiff
|
tree
2016-01-12
Mark Abr
a
h
a
m
Mer
g
e b
r
anch r
e
lease-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraha
m
Avoid more C++ bindings
for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Stop usi
n
g
U
NDEFINED
a
s name of a sym
b
ol
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk Ab
r
a
ham
Backpo
r
t md-vv fixes
commit
|
commitdiff
|
tree
2015-12-29
B
erk
Hess
Correct vec
t
or check
of gmx check
commit
|
commitdiff
|
tree
2015-12-27
M
a
rk Abr
a
ham
Fix some
O
penCL iss
u
es
commit
|
commitdiff
|
tree
2015-12-08
Mark Abr
a
ham
M
erge branch 'rele
a
s
e
-5
-
0' into
release-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abrah
a
m
Fix Tr
o
t
t
er integratio
n
commit
|
commitdiff
|
tree
2015-11-25
Elton
Carval
h
o
Rotate Fi
g
ure 8
.
2
in manual
.
commit
|
commitdiff
|
tree
2015-11-24
M
ark Abraham
F
i
x error in m
u
l
ti-sim
co
m
munication
commit
|
commitdiff
|
tree
2015-11-11
M
a
rk Abra
h
am
Merge rele
a
se-5-0 i
n
to relea
s
e-5-1
commit
|
commitdiff
|
tree
2015-11-10
M
ark Abrah
a
m
B
ump p
a
tch version to prepar
e
for
5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Ve
r
sion 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mark Abra
h
am
Suppre
s
s
warnings when we
h
av
e
OpenCL 2
.
0 s
u
pp
o
r
t
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
A
dd CUDA n
v
c
c >=7
.
0 support
commit
|
commitdiff
|
tree
2015-10-14
Mark Abra
h
am
M
e
rge
release-5-0 into relea
s
e
-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Version bumps after
r
elease
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Version 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark
Abrah
a
m
Merge branch release-4-6 into rele
a
s
e
-5-0
commit
|
commitdiff
|
tree
2015-10-07
Mark Ab
r
aham
Fixed FFTW
d
etection st
a
t
u
s
m
e
ssage
location
commit
|
commitdiff
|
tree
2015-10-05
M
a
rk
A
b
r
aham
M
e
r
g
e rele
a
s
e-5
-
0 i
n
to release-5-1
commit
|
commitdiff
|
tree
2015-09-26
Ma
r
k Abraha
m
Fix r
e
action-field
w
arnin
g
message
commit
|
commitdiff
|
tree
2015-09-16
Szilard
P
a
l
l
Fix OpenCL build
commit
|
commitdiff
|
tree
2015-08-19
Mark Abrah
a
m
Ha
r
den Find
S
phinx
.
cm
a
k
e
commit
|
commitdiff
|
tree
2015-08-14
Mark
A
b
r
aham
Bump
p
atch
ve
r
sio
n
to prepare for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Ma
r
k
Abrah
a
m
Ve
r
sion
5
.
1
commit
|
commitdiff
|
tree
2015-08-14
Berk Hess
Mak
e
mdru
n
-nt work a
g
ain
commit
|
commitdiff
|
tree
2015-08-13
M
ark Abr
a
h
a
m
M
a
k
e it ea
s
ier to find sel
e
c
ti
o
n h
e
lp
commit
|
commitdiff
|
tree
2015-08-12
M
a
rk Abr
a
ham
Add documentation for energygrps
w
ith G
P
Us
commit
|
commitdiff
|
tree
2015-08-11
Mark
Abr
a
ham
Abort
if PME tuning i
s
active and c
o
unt
e
rs r
e
set
commit
|
commitdiff
|
tree
2015-08-08
Mark
Abraham
Merge branch
r
el
e
ase-5-0 into releas
e
-5-1
commit
|
commitdiff
|
tree
2015-08-08
M
ark
A
braham
Fix
docs of ftyp
e
s of dihedrals
commit
|
commitdiff
|
tree
2015-08-04
Mark Ab
r
aham
Merge release-5-0
into release-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abra
h
am
F
ix possible linking
o
f libxml2
t
o zli
b
commit
|
commitdiff
|
tree
2015-07-26
Mark
Abraham
Merg
e
b
ranch release-5
-
0 into
r
elease-
5
-1
commit
|
commitdiff
|
tree
2015-07-26
Mark
A
brah
a
m
Vers
i
on bumps after new releas
e
commit
|
commitdiff
|
tree
2015-07-24
Mark Abraham
V
ersion 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-06
Mark
A
br
a
ham
Fir
s
t
5
.
1 r
e
le
a
se candi
d
ate
commit
|
commitdiff
|
tree
2015-07-06
Berk Hes
s
Fix
t
oo small GPU p
a
ir
co
u
nt est
i
mates
commit
|
commitdiff
|
tree
2015-07-06
Berk Hess
F
i
x
b
ug i
n
G
PU list
balancing
commit
|
commitdiff
|
tree
2015-06-29
Ma
r
k Abraha
m
Mer
g
e branch re
l
ease-
5
-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Documented b
u
il
d
ty
p
e
s
i
n
developer gu
i
de
commit
|
commitdiff
|
tree
2015-06-29
M
ark Abrah
a
m
Merge release-4-
6
into release-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Abraham
Fix all use of
nbnxn_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Be
r
k He
s
s
Improve pair search
thread lo
a
d bal
a
n
c
e
commit
|
commitdiff
|
tree
2015-06-27
Mark Abraham
Merge
r
e
lease-5
-
0
into mast
e
r
commit
|
commitdiff
|
tree
2015-06-26
M
ark Abraham
Merge re
l
eas
e
-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-25
Erik Lindahl
Fix edr ap
p
e
n
d
ing and exact
continu
a
tion
commit
|
commitdiff
|
tree
2015-06-25
Erik Lindahl
Fix
b
i
n
ary exact continuation for
t
rajectories
commit
|
commitdiff
|
tree
2015-06-25
Mark Abraham
M
e
rge release-5-0 into master
commit
|
commitdiff
|
tree
2015-06-24
Mark Abraham
M
e
r
g
e release
-
4
-6 into
release-5-0
commit
|
commitdiff
|
tree
2015-06-15
R
ossen Apostolov
B
u
i
lding ow
n
fftw now uses ver
s
i
on 3
.
3
.
4
commit
|
commitdiff
|
tree
2015-06-12
Mark Abraham
Fix comm
a
ndline test dat
a
commit
|
commitdiff
|
tree
2015-06-09
Mark A
b
raham
Me
r
ge bra
n
c
h release-4-6
i
nto r
e
lease-5-0
commit
|
commitdiff
|
tree
2015-06-09
Te
e
mu
M
urtola
Resolve one
TODO f
o
r command
line help te
s
ts
commit
|
commitdiff
|
tree
2015-05-28
Teemu Murt
o
la
Impro
v
e lists in user gu
i
de fo
r
selections
commit
|
commitdiff
|
tree
2015-05-26
Mark Abraham
C
o
nvert e
w
a
ld modul
e
to C++
commit
|
commitdiff
|
tree
2015-05-26
M
ark
Abra
h
am
Fix use of ha
r
d-coded t
e
mporar
y
f
ilename
commit
|
commitdiff
|
tree
2015-05-19
M
a
rk
Abrah
a
m
Add checks for co
r
rec
t
use of SIMD heade
r
s
.
commit
|
commitdiff
|
tree
2015-05-17
Mark
A
braham
Merge branch origin/release-5-
0
commit
|
commitdiff
|
tree
2015-05-15
Szilard
Pal
l
Assert th
e
si
z
e
o
f no
n
-bonded GPU work unit
s
commit
|
commitdiff
|
tree
2015-05-13
Mar
k
Abraham
Ve
r
sio
n
b
ump
s
af
t
er
new release
commit
|
commitdiff
|
tree
2015-05-13
Ma
r
k
Abraham
Version 5
.
0
.
5
commit
|
commitdiff
|
tree
2015-05-12
Rossen Apos
t
olov
Added a no
t
e about sc-coul being a
u
t
o turned
o
n
.
commit
|
commitdiff
|
tree
2015-05-09
Mark Ab
r
a
ham
Merge branch
r
elea
s
e
-5-0
commit
|
commitdiff
|
tree
2015-05-05
Mark Abrah
a
m
Merge rel
e
as
e
-4-6
into rele
a
se-5-0
commit
|
commitdiff
|
tree
2015-04-30
Mar
k
Abr
a
ham
M
ove
G
PU implemen
t
ation to
n
ew int
e
rface
commit
|
commitdiff
|
tree
2015-04-23
Mark Abraham
Firs
t
b
eta
release of 5
.
1
commit
|
commitdiff
|
tree
2015-04-09
Mark A
b
raham
Merge b
r
anc
h
release-5
-
0
commit
|
commitdiff
|
tree
2015-04-08
Mark Abraham
Update mdru
n
Doxy
g
en
commit
|
commitdiff
|
tree
2015-04-08
M
a
rk Abraham
M
a
de pme_work_t opaqu
e
commit
|
commitdiff
|
tree
2015-03-30
Eri
k
Linda
h
l
Quote fro
m
S
z
ilard's tal
k
at
G
T
C2015
commit
|
commitdiff
|
tree
2015-03-19
Ma
r
k Abrah
a
m
M
a
de error message
m
ore generic
commit
|
commitdiff
|
tree
2015-03-19
Ma
r
k
Abraham
Extend Force su
b
-cou
n
ter
s
commit
|
commitdiff
|
tree
2015-03-04
Berk Hess
Allow pull groups of 1 atom with mass 0
commit
|
commitdiff
|
tree
2015-03-03
R
oland
Schulz
n
b
nxn uti
l
s
p
e
rformanc
e
i
m
pr
o
vem
e
nt for Phi
commit
|
commitdiff
|
tree
2015-03-03
M
ark A
b
raham
Move mdrun signallin
g
cod
e
commit
|
commitdiff
|
tree
2015-03-02
Mark
A
b
raham
Run rep
l
ica-exchange tests with
M
PI enabled
commit
|
commitdiff
|
tree
2015-02-25
M
a
r
k Abraham
N
ew a
n
d reorganized docum
e
nt
a
tio
n
commit
|
commitdiff
|
tree
2015-02-24
Ake Sandgren
The test
for HAVE
_
CXX11_REG
E
X fails since it do
e
sn
.
.
.
commit
|
commitdiff
|
tree
2015-02-24
Ake Sandgr
e
n
Check
s
s
h
ould use corre
c
t C
M
AKE
_
REQUIRED
_
variables
commit
|
commitdiff
|
tree
2015-02-24
Erik Lindahl
A
d
d
ed AVX-512ER SIMD support
commit
|
commitdiff
|
tree
2015-02-13
Mar
k
Abraham
F
ix mdrun-only build
commit
|
commitdiff
|
tree
2015-02-13
T
eemu M
u
rtola
Repla
c
e m
o
re
[
BR] with r
s
t bu
l
let li
s
ts
commit
|
commitdiff
|
tree
2015-02-13
Teemu
M
u
rtola
Move flow chart
from
ol
d
-html
to Sphin
x
commit
|
commitdiff
|
tree
2015-02-13
Tee
m
u Murtola
Make (most) HTML
links t
o
fil
e
f
orma
t
s work
a
ga
i
n
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Convert fil
e
f
o
r
mat descriptions to
rst
commit
|
commitdiff
|
tree
2015-02-04
M
a
rk
A
braham
Imp
l
eme
n
t user guide
commit
|
commitdiff
|
tree
2015-02-02
Mark A
b
raham
M
e
rge bra
n
ch
re
l
ease-5
-
0
commit
|
commitdiff
|
tree
2015-02-02
Mark
Abr
a
ham
A
v
oid near-silent generation of zero e
n
erg
i
es
commit
|
commitdiff
|
tree
2015-01-23
Jo
h
n Baxter
Cl
e
an
s
up steepest descent initial p
o
t
ential
ha
c
k
commit
|
commitdiff
|
tree
2015-01-23
Mark Abraham
Update FindC
U
DA w
o
rk
-
around
commit
|
commitdiff
|
tree
2015-01-22
J
o
h
n
Baxter
Chang
e
d "stru
c
t swa
p
" to "s
t
r
u
c
t
t_swa
p
"
commit
|
commitdiff
|
tree
2015-01-20
Mark Abraham
Removed gmx_header_c
o
nfi
g
.
h
commit
|
commitdiff
|
tree
next