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Fix FindCUDA.cmake for -Wundef
2017-06-14
M
a
r
k Abraham
Simpl
i
fy repor
t
ing from init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark Abraham
M
ove gmx_parse_
g
pu_i
d
out o
f
c
h
e
cking function
commit
|
commitdiff
|
tree
2017-05-31
M
ark Abraha
m
N
e
w quot
e
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
Fix
N
VML
error me
s
sa
g
es
commit
|
commitdiff
|
tree
2017-05-27
Mark Abraham
Q
u
o
t
es from
Gotting
e
n workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark A
b
r
aham
Test
i
n
v
sixthro
o
t
function as intended
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated u
s
e of
comp
i
ler specifiers in
t
esting
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated use of gcc-5 s
p
ecifiers
commit
|
commitdiff
|
tree
2017-05-15
Mar
k
Ab
r
aham
Update
c
lang
st
a
tic analyzer slave to use version 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abraha
m
Update clang
-
4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
F
i
x
formatt
i
n
g
o
f
M
K
L cm
a
ke
d
ocs
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Merge b
r
anch release-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
C
l
e
a
n
ed up memory usa
g
e i
n
gmx traj
and trjconv
commit
|
commitdiff
|
tree
2017-04-22
M
a
rk Abrah
a
m
C
l
ean up
m
emory usa
g
e wit
h
oenv a
n
d xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Mark
Abraham
M
i
no
r
change to GPU compa
t
ibility repo
r
t
i
ng ha
n
d
l
i
n
g
commit
|
commitdiff
|
tree
2017-04-17
Mark
A
bra
h
a
m
Propose a
p
ost-submit
m
a
trix
commit
|
commitdiff
|
tree
2017-04-03
Mark
A
br
a
h
am
Remove
d
o_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark
Abr
a
ham
Merge
b
ran
c
h release-2016
commit
|
commitdiff
|
tree
2017-03-29
M
a
rk
Abraham
F
i
x parameter description fo
r
d
ihedral_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add section to user
g
uide
for managing s
i
m
ulati
o
n
s
commit
|
commitdiff
|
tree
2017-03-19
Mark
A
braham
Fix str
i
n
g
h
a
nd
l
ing for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Ab
r
aham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark
Abraham
Bu
m
ped version to pre
p
are for next p
a
tch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
M
ark Abraham
Modernize write
_
i
n
pfi
l
e
commit
|
commitdiff
|
tree
2017-03-13
Mar
k
Abr
a
h
a
m
Moderniz
e
r
ead_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Tests for
grompp -f
-po
commit
|
commitdiff
|
tree
2017-03-09
M
a
rk Abraham
Refact
o
r
G
PU selec
t
ion handling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abrah
a
m
F
i
x minor
issue
s
in gmx tra
j
-av
-
a
f
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
Fixes for xl compilers 13
.
1
.
5
on
P
o
wer8
commit
|
commitdiff
|
tree
2017-02-20
Mark
A
bra
h
am
Add t
e
sts for old
g
m
x
e
ner
g
y f
u
nc
t
i
ona
l
ity
commit
|
commitdiff
|
tree
2017-02-17
Ma
r
k Abra
h
am
Use
gm
x
::Mu
t
ex and
gmx
:
:lock_guard to fix some issues
commit
|
commitdiff
|
tree
2017-02-15
Mark Ab
r
aham
M
erge
br
a
nch rele
a
se-5-1 i
n
to
release-2
0
16
commit
|
commitdiff
|
tree
2017-02-14
Mark
A
braham
Fix handli
n
g of pre
v
ious virials
commit
|
commitdiff
|
tree
2017-02-14
M
a
rk Abraham
R
educe co
m
pilat
i
on coupling
commit
|
commitdiff
|
tree
2017-02-10
M
a
rk Abraham
Correc
t
ed outpu
t
of gmx do_d
s
sp -s
c
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
C
o
mplete the rem
o
val of
s
t
ateful
R
NG
commit
|
commitdiff
|
tree
2017-02-09
M
ark
Abraham
Improved s
t
ate_change_natoms and used it more
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Abrah
a
m
Remove EST_
D
I
S
T
R from s
t
a
t
e
.
h
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk
A
braham
E
n
hance warninp
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abraham
Extend serial
i
zat
i
on to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk
A
braham
R
e
move do
c
s for unimplemented trjconv -clustercen
t
e
r
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk
A
braham
Create applied-forces module group
commit
|
commitdiff
|
tree
2017-02-08
Mark A
b
r
aham
Give
MDModules r
e
s
p
onsi
b
ility
for option h
a
n
d
ling
commit
|
commitdiff
|
tree
2017-02-07
M
ark Abraham
Merge bran
c
h
releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraha
m
B
u
mped version to
p
re
p
are for next
p
atch rel
e
ase
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraham
I
nt
r
oduced s
y
stem prepar
a
tion
s
e
ction to use
r
guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
V
e
rs
i
on 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Me
r
ge branc
h
re
l
ease-5-1 into relea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-03
Ma
r
k Abraham
R
emov
e
typedef struct in some mdt
y
pes f
i
les
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraha
m
Cla
r
ify
use of tau-p and pcoupl
t
ype
commit
|
commitdiff
|
tree
2017-01-31
M
a
rk Abraham
M
erge branc
h
release-5-1 into rele
a
se-
2
016
commit
|
commitdiff
|
tree
2017-01-30
Mark
Abrah
a
m
F
i
x multi-domain reru
n
s
commit
|
commitdiff
|
tree
2017-01-30
Mark Ab
r
aham
D
on't print invalid perfo
r
mance data
commit
|
commitdiff
|
tree
2017-01-23
Mark Abr
a
h
a
m
Stoppe
d
h
e
a
der f
i
l
es incl
u
di
n
g stat
e
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mar
k
A
b
raham
Fixed gmx r
m
sf -
q
-oq
.
commit
|
commitdiff
|
tree
2017-01-21
Ma
r
k Abraham
Remo
v
e
d
init
_
state
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraham
I
n
itialize
G
M
X_*_LIBRARIES
cmake
var
i
ables earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark A
b
raha
m
Merge branch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-01-06
Ma
r
k
Abraham
D
o
cument ISerializer
c
lass
commit
|
commitdiff
|
tree
2017-01-04
Mark
A
braham
Stop tryin
g
to use objd
u
m
p
--reloc on Mac
commit
|
commitdiff
|
tree
2017-01-04
M
a
r
k
Abraham
Fix do
c
umentation
o
f OptionsV
i
sitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
Merge branch rele
a
se-5-1
i
n
to releas
e
-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected
documentation about
eige
n
value
han
d
ling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abra
h
am
Improve b
u
ild system for
p
lugin suppor
t
commit
|
commitdiff
|
tree
2016-12-20
Mark Abra
h
am
Sanitize
s
ome include headers
commit
|
commitdiff
|
tree
2016-12-20
Ma
r
k Abraham
Merge branch r
e
l
e
ase
-
2
016
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Removed support for multiple en
t
rie
s
in mdp
f
i
l
e
s
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
H
andle warn
i
np c
o
rrectly
in
xpm2ps and mem
b
ed
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
F
ix misleading parall
e
lization docs for gm
x
wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abr
a
ha
m
Fix logic of TR
R
r
eading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abra
h
am
R
emo
v
e nxframe f
r
om t_trx
s
tatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Abra
h
am
Consolid
a
t
e
files
s
u
pp
o
rt
i
n
g
TNG file
I/O
commit
|
commitdiff
|
tree
2016-12-07
M
a
r
k Abraham
Merge branch relea
s
e-2016
commit
|
commitdiff
|
tree
2016-12-07
M
ark Abraham
Fi
x
m
e
mory handling
i
n gmx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Ma
r
k A
b
raham
Remove undue narrowing
o
f integ
e
r in TNG
readin
g
commit
|
commitdiff
|
tree
2016-12-01
Mark
Abraha
m
Add INSTALL-dev t
o
aid peop
l
e doing unusual
b
uilds
commit
|
commitdiff
|
tree
2016-12-01
Mar
k
Abraham
F
i
x
m
inor
trjconv bu
g
commit
|
commitdiff
|
tree
2016-11-23
Ma
r
k Abraham
Stop i
n
cluding
t
ng_io_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
M
a
rk
Abraham
Enhanced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark A
b
raham
Created paddedve
c
tor
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Remove unimplem
e
nted gmx trjcat -v
e
l
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Merg
e
branch
rele
a
s
e
-2016
commit
|
commitdiff
|
tree
2016-10-31
Ma
r
k
Abraham
Me
r
g
e
branch release-
2
0
1
6
commit
|
commitdiff
|
tree
2016-10-28
M
a
rk Abr
a
ham
Bumped versi
o
n
t
o pr
e
pa
r
e for next pat
c
h r
e
lease
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Upda
t
e inst
a
l
l guid
e
commit
|
commitdiff
|
tree
2016-10-21
Mark A
b
raham
Updat
e
cppc
h
eck support to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abraham
Upgrade cov
e
r
a
ge matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abraham
F
i
x
S
IMD
suggesti
o
n for VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abraham
Make reg
r
essiontests u
p
dater
b
u
i
l
d work for master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
M
a
rk Abraham
Update for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark
A
b
raham
Merge "Merge branch
release-2016"
commit
|
commitdiff
|
tree
2016-10-09
Mark A
b
raham
Merge
br
a
n
c
h release-201
6
commit
|
commitdiff
|
tree
2016-10-07
Mark A
b
r
aham
Add
s
cript for Jenkins regr
e
ssiontes
t
update job
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
b
r
aham
Merg
e
branch release-5-1
into releas
e
-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abrah
a
m
R
eplace use of
d
ep
r
ecated readdir
_
r
commit
|
commitdiff
|
tree
2016-09-12
Ma
r
k
A
b
raham
Preliminary clean up of NVM
L
c
ode
commit
|
commitdiff
|
tree
2016-09-08
Mark A
b
r
a
ha
m
Merge br
a
nch release-5-
1
i
n
t
o
re
l
ease-2
0
16
commit
|
commitdiff
|
tree
2016-09-08
M
ark Abr
a
ham
Bump
e
d pat
c
h numbe
r
to pre
p
are for fut
u
re 5
.
1
.
5 release
commit
|
commitdiff
|
tree
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