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Make both ftp and http links for source download
2016-02-19
Mark Abrah
a
m
Ma
k
e
b
o
t
h
f
t
p
and http links for sour
c
e downlo
a
d
commit
|
commitdiff
|
tree
2016-02-18
Mark Abra
h
am
Updated
r
efer
e
nce man
u
al text about
P
ME tunin
g
commit
|
commitdiff
|
tree
2016-02-16
M
a
rk
A
braham
Merge br
a
nch relea
s
e-5-
0
into release-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mar
k
Abra
h
am
Re-generated eps for fig
u
re 4
.
8
commit
|
commitdiff
|
tree
2016-02-08
M
ark Abraham
M
e
rg
e
branch releas
e
-5-0 into re
l
ease-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
B
umped
p
atch number to prepare for
future 5
.
1
.
3 relea
s
e
commit
|
commitdiff
|
tree
2016-02-03
Mark Abra
h
a
m
Version
5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abrah
a
m
Fix g
r
o
m
p
p
no
t
war
n
ing when
.
m
dp va
l
ues ha
v
e
w
r
o
n
g
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
M
e
rge re
l
ease-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark
Abraham
Fix dEkin
/
dl handling
with
m
u
ltiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Add OpenCL source
f
ile types t
o
copyr
i
ght checker
commit
|
commitdiff
|
tree
2016-01-27
Mark
Abraham
A
d
d suggestio
n
s
fo
r
upda
t
ing bin
u
tils
commit
|
commitdiff
|
tree
2016-01-26
Mark Abrah
a
m
F
ix default for GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-24
Mark Abraham
F
i
x duplicate LaTeX equat
i
on label
commit
|
commitdiff
|
tree
2016-01-24
Mark Abrah
a
m
Up
d
ate ref
e
rences to HTML
a
nd online docum
e
nt
a
tion
commit
|
commitdiff
|
tree
2016-01-13
M
ark Abr
a
ham
Al
l
owe
d
N
V
ML s
u
p
port to b
e
togg
l
e
d
commit
|
commitdiff
|
tree
2016-01-12
Mark Abraham
Me
r
ge branch r
e
lease-
5
-0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mar
k
Abr
a
ham
Avoi
d
mor
e
C++
bind
i
ngs f
o
r MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Doc
u
ment
how potential-switch wor
k
s
commit
|
commitdiff
|
tree
2016-01-07
M
ark Abraha
m
Stop usin
g
U
N
DEFINED as name of a symbol
commit
|
commitdiff
|
tree
2016-01-07
M
a
rk
A
braham
Ba
c
kp
o
rt m
d
-vv fi
x
es
commit
|
commitdiff
|
tree
2015-12-27
Mark Ab
r
aham
Fix s
o
me
O
p
enCL issues
commit
|
commitdiff
|
tree
2015-12-12
M
ark
A
b
raham
Require Nose
-
Hoover with M
T
TK
commit
|
commitdiff
|
tree
2015-12-11
Mark Abraham
Stop global communication depending on integ
r
at
o
r
commit
|
commitdiff
|
tree
2015-12-08
Mark Ab
r
aham
Merge branch 'rel
e
ase-5
-
0'
i
nto release-5
-
1
commit
|
commitdiff
|
tree
2015-12-08
M
a
rk A
b
raham
F
i
x Trotter integ
r
ation
commit
|
commitdiff
|
tree
2015-11-24
M
a
rk Abraham
F
i
x
error in mult
i
-sim comm
u
nication
commit
|
commitdiff
|
tree
2015-11-14
Mark A
b
ra
h
am
Fix walltime
mea
s
urement with
bgc
l
a
ng
commit
|
commitdiff
|
tree
2015-11-11
Mark Abr
a
ham
Merg
e
r
e
lease-5-0 into
r
elease
-
5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
Bum
p
patch versi
o
n to
p
repare
f
or 5
.
1
.
2
commit
|
commitdiff
|
tree
2015-11-04
Mark
Ab
r
aham
Version 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Supp
r
ess warnings when w
e
h
a
ve OpenCL
2
.
0 suppor
t
commit
|
commitdiff
|
tree
2015-10-19
Mar
k
Abraham
Fix cycle sub
c
ounters
commit
|
commitdiff
|
tree
2015-10-14
M
ark Abra
h
a
m
M
erge re
l
eas
e
-
5
-0 into rele
a
se-5-1
commit
|
commitdiff
|
tree
2015-10-14
Ma
r
k Abraham
Version
bu
m
ps after r
e
l
e
ase
commit
|
commitdiff
|
tree
2015-10-14
Mark
Abraham
Version 5
.
0
.
7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Merg
e
branch re
l
ease-
4
-6
i
nt
o
release-5-0
commit
|
commitdiff
|
tree
2015-10-07
Mark
A
braham
F
i
xed F
F
TW detection status message location
commit
|
commitdiff
|
tree
2015-10-05
M
a
rk Abr
a
h
a
m
Me
r
ge release-5-0 into
release-5-1
commit
|
commitdiff
|
tree
2015-10-03
Mark
Abraham
F
ix Fin
d
FFTW behaviour
commit
|
commitdiff
|
tree
2015-10-03
Mark Abr
a
ham
F
ix mdrun -n
b
aut
o
-rer
u
n
w
ith GPU and
en
e
rgy g
r
o
ups
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
Fix react
i
on-field warni
n
g
message
commit
|
commitdiff
|
tree
2015-09-06
Mark
Abraham
Add GROMACS 5 paper t
o
paper lis
t
s
commit
|
commitdiff
|
tree
2015-08-19
Ma
r
k Abraham
H
arden Fi
n
dSphinx
.
cmak
e
commit
|
commitdiff
|
tree
2015-08-14
M
a
r
k
A
braham
Bump pa
t
ch version
t
o prepare for 5
.
1
.
1
commit
|
commitdiff
|
tree
2015-08-14
Mar
k
Abraham
Version 5
.
1
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Make it easie
r
t
o find
s
elect
i
on help
commit
|
commitdiff
|
tree
2015-08-13
Mark Abrah
a
m
Make
i
t easier to f
i
nd selection help
commit
|
commitdiff
|
tree
2015-08-13
M
a
rk Abraham
Re
-
en
a
ble mult
i
-G
P
U
sup
p
ort in OpenCL for thread MPI
commit
|
commitdiff
|
tree
2015-08-13
Mark Abr
a
ha
m
Docu
m
entation
fixes
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Avo
i
d
F
P
e
xcepti
o
n wit
h
empty
.
md
p
fi
l
e
commit
|
commitdiff
|
tree
2015-08-12
Mar
k
Abraham
Add document
a
tion
f
o
r e
n
ergygrps
with GPU
s
commit
|
commitdiff
|
tree
2015-08-12
M
a
rk Abraham
A
dd to author
lis
t
s
commit
|
commitdiff
|
tree
2015-08-11
M
ark Abraham
Ab
o
r
t
if PME t
u
n
i
ng i
s
a
ctive and co
u
nters reset
commit
|
commitdiff
|
tree
2015-08-10
Mark Abra
h
am
Requi
r
e tune_pme to take -mdrun
par
a
meter
commit
|
commitdiff
|
tree
2015-08-08
Ma
r
k Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark
A
bra
h
am
Fix do
c
s of ftypes of dihedrals
commit
|
commitdiff
|
tree
2015-08-06
Ma
r
k Abrah
a
m
Fix Fi
n
dNVML
.
cma
k
e
commit
|
commitdiff
|
tree
2015-08-06
Mark Ab
r
aha
m
Fix thread-affinity che
c
king
commit
|
commitdiff
|
tree
2015-08-05
Mark Abraham
Fix em dash in n
e
w refer
e
nce
commit
|
commitdiff
|
tree
2015-08-04
Mark Abraham
Merge
relea
s
e-5
-
0
into release-
5
-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abr
a
ham
Fix u
s
e
of wrongly-named GCC
m
i
n
or-version v
a
ri
a
ble
commit
|
commitdiff
|
tree
2015-08-03
Mark Abra
h
am
Fix possi
b
l
e l
i
n
king of
libxml2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark A
b
raham
Merge branch rele
a
se-5-0 into
release-5-
1
commit
|
commitdiff
|
tree
2015-07-26
Mark Ab
r
aham
Stop
m
drun printing p
o
te
n
t
ially undefined
val
u
e
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Version bumps after new re
l
e
ase
commit
|
commitdiff
|
tree
2015-07-24
Mark
Abraham
Ve
r
sion 5
.
0
.
6
commit
|
commitdiff
|
tree
2015-07-19
Mar
k
A
b
r
a
h
am
Up
d
a
t
e advice about
g
r
ompp -t
commit
|
commitdiff
|
tree
2015-07-08
Mar
k
Abraha
m
Giv
e
bTy
p
ePe
r
turbed a val
i
d ini
t
ial val
u
e
commit
|
commitdiff
|
tree
2015-07-08
Mar
k
Abraham
Fi
x
grompp
.
edr I
O
estimate for free-ene
r
gy calcs
commit
|
commitdiff
|
tree
2015-07-06
M
a
r
k Abraham
First 5
.
1
release
c
andidat
e
commit
|
commitdiff
|
tree
2015-07-03
Ma
r
k Abraham
Fix Th
r
eadMP
I
GPU assumptions
commit
|
commitdiff
|
tree
2015-06-30
M
a
r
k
A
braham
Docum
e
nt how to add and use NVM
L
s
u
pport
commit
|
commitdiff
|
tree
2015-06-30
Mar
k
Abraham
Avoid GPU
d
ata race also with OpenCL
commit
|
commitdiff
|
tree
2015-06-30
M
a
rk Abraham
Add suppor
t
f
o
r flushing WDDM queue
commit
|
commitdiff
|
tree
2015-06-29
M
ar
k
A
b
ra
h
am
Me
r
g
e "
M
e
r
ge b
r
anch rel
e
ase-5-0"
commit
|
commitdiff
|
tree
2015-06-29
M
ark Abraham
M
er
g
e branch r
e
le
a
se-5-0
commit
|
commitdiff
|
tree
2015-06-29
Mark Ab
r
aham
Docum
e
nted bui
l
d t
y
p
e
s i
n
develope
r
guid
e
commit
|
commitdiff
|
tree
2015-06-29
Mark
Abraham
Merge releas
e
-4-6 into release-5-
0
commit
|
commitdiff
|
tree
2015-06-29
Mar
k
Ab
r
aham
Add MSA
N
build type
commit
|
commitdiff
|
tree
2015-06-29
Mark Abr
a
h
am
Fi
x
all use of nbn
x
n_simd
.
h
commit
|
commitdiff
|
tree
2015-06-27
Ma
r
k Abraham
Merge release-5
-
0
into master
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
Merg
e
release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-26
Mark Abraham
Fix mdrun
-
c
onfou
t
so
m
et
i
mes affecting fin
a
l
.
e
d
r frame
commit
|
commitdiff
|
tree
2015-06-25
Mark Abraham
Merg
e
"Merge release-5-
0
into
master"
commit
|
commitdiff
|
tree
2015-06-25
Mark Abraham
M
erge release-5-0 into master
commit
|
commitdiff
|
tree
2015-06-24
Ma
r
k
Abr
a
ham
M
e
rge
r
elease-4
-
6 into release-5-0
commit
|
commitdiff
|
tree
2015-06-18
Mark Abrah
a
m
Fix t
y
po
i
n GMX_BUILD
_
OWN_F
F
T
W messag
e
commit
|
commitdiff
|
tree
2015-06-16
Ma
r
k Abraham
S
t
o
p
peopl
e
in
s
t
alling into the build tree
commit
|
commitdiff
|
tree
2015-06-16
M
ark Abrah
a
m
Move code for managing
mdrun
-
c
pi
and
-a
p
pend
commit
|
commitdiff
|
tree
2015-06-16
M
a
r
k
Abraham
Fix
pairs_nb not recogn
i
zed
a
s part
o
f
m
oleculetype
commit
|
commitdiff
|
tree
2015-06-16
Ma
r
k Ab
r
aham
Add unit tests for ArrayRef
commit
|
commitdiff
|
tree
2015-06-12
Mark A
b
raham
Fix commandline t
e
s
t
data
commit
|
commitdiff
|
tree
2015-06-11
Ma
r
k Abraham
Me
r
ge "Mer
g
e branch release-4-6 into release
-
5-0"
i
n
to
.
.
.
commit
|
commitdiff
|
tree
2015-06-11
Mark Abraham
Handle timing better in Jenki
n
s
commit
|
commitdiff
|
tree
2015-06-11
M
a
r
k Ab
r
aham
Clean
u
p vsite interactio
n
c
lean-up
c
ode
commit
|
commitdiff
|
tree
2015-06-09
Ma
r
k Abraham
Docu
m
ent l
i
mita
t
i
o
ns of trjc
o
nv
-
dump
commit
|
commitdiff
|
tree
2015-06-09
Mark Abraham
Merge
branch rel
e
ase-4-6 into release
-
5-0
commit
|
commitdiff
|
tree
2015-06-05
Mark Abraham
Remove
g
mx_simd_check_
a
n
d_reset_ove
r
f
l
o
w
commit
|
commitdiff
|
tree
2015-06-04
Mark
Abraham
Fix
naming from
"
G
r
omacs" to
"
GROMACS"
commit
|
commitdiff
|
tree
next