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Replace misnamed nbnxn_gpu_acceleration_supported
2017-06-22
Mar
k
Abraham
R
ep
l
ace mis
n
ame
d
nbn
x
n_gpu_ac
c
eleration_
s
upporte
d
commit
|
commitdiff
|
tree
2017-06-22
Mark A
b
raham
Conso
l
id
a
te
and fix log
i
c f
o
r
m
drun -nb a
n
d -gpui
d
commit
|
commitdiff
|
tree
2017-06-21
Mark
Abraham
Refor
m
ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
M
a
rk
Abraham
Remove bU
s
erS
e
tGpuIds
field
commit
|
commitdiff
|
tree
2017-06-14
Mark Abraham
Simplify re
p
or
t
ing fr
o
m
in
i
t_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark Abraham
Move gmx_parse_g
p
u_id
out of chec
k
ing fun
c
ti
o
n
commit
|
commitdiff
|
tree
2017-05-31
Mark Abr
a
h
a
m
N
ew
q
u
o
te
commit
|
commitdiff
|
tree
2017-05-27
Mark Abraham
Quot
e
s fr
o
m Got
t
in
g
en
w
orkshop
commit
|
commitdiff
|
tree
2017-05-15
Mark Ab
r
aham
U
pda
t
e
d
use of compiler spe
c
ifiers i
n
testing
commit
|
commitdiff
|
tree
2017-05-15
M
ark
Abraham
Up
d
ate cla
n
g
stat
i
c
a
nalyzer sl
a
v
e to use ve
r
sion 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Ab
r
aham
Update c
l
a
ng
-
4
commit
|
commitdiff
|
tree
2017-05-09
Mark Ab
r
aha
m
Mer
g
e branch
r
el
e
a
se-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Ab
r
aham
Cleaned up memory usage in g
m
x
traj a
n
d t
r
jconv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clean u
p
memo
r
y usage with oenv and x
v
g writing
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Minor
c
hange
to GP
U
c
ompat
i
bility
r
eporting handlin
g
commit
|
commitdiff
|
tree
2017-04-17
M
ark Ab
r
aham
Prop
o
se a post-su
b
mit matrix
commit
|
commitdiff
|
tree
2017-04-03
Mark
Abraham
Remove
d
o_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abr
a
ham
M
e
r
g
e branch release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark A
b
raham
Fix parameter d
e
scription for
dihedral_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark
Ab
r
a
ham
Add sect
i
on to user
guide
for managi
n
g
simulations
commit
|
commitdiff
|
tree
2017-03-19
Ma
r
k
A
bra
h
a
m
Fix
str
i
ng hand
l
ing for gc
c
7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abrah
a
m
M
e
rge
bra
n
ch releas
e
-
2016
commit
|
commitdiff
|
tree
2017-03-14
Mark A
b
raha
m
Bumped versio
n
to
p
repare for next patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
V
ersion 2
0
16
.
3
commit
|
commitdiff
|
tree
2017-03-13
M
a
r
k Abr
a
ham
Modernize wri
t
e_i
n
pfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abr
a
ham
Modernize read_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Tests
f
or grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Ma
r
k Abra
h
am
Re
f
a
c
tor GPU selection ha
n
dling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
Fix
m
inor issues in g
m
x
t
r
aj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Ma
r
k Abraha
m
Fixes
f
or xl compilers 13
.
1
.
5 on P
o
we
r
8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abraham
Add tests for o
l
d gmx ene
r
g
y functionality
commit
|
commitdiff
|
tree
2017-02-17
Mark Abr
a
h
am
Use gmx::Mutex and
g
mx::lock_gu
a
rd t
o
fix some issues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Merge branch release-5-1 int
o
release-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abra
h
am
F
ix handl
i
n
g of previous
v
i
rial
s
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
raham
Reduce c
o
mpilat
i
on coupling
commit
|
commitdiff
|
tree
2017-02-10
M
a
rk
Abraham
Cor
r
ected output of gmx do_d
s
sp -s
c
commit
|
commitdiff
|
tree
2017-02-09
Mark Abr
a
ham
Complete
the
r
emoval of stateful
RN
G
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
I
mproved
s
tat
e
_change_
n
a
t
oms a
n
d
u
sed it more
commit
|
commitdiff
|
tree
2017-02-09
M
ark Abraham
Remove EST_DISTR from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Enhance warninp
commit
|
commitdiff
|
tree
2017-02-08
Mark
A
bra
h
a
m
E
xtend se
r
ialization t
o
g
mx_i
n
t
64_t
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
A
b
raham
Remov
e
docs for unimpl
e
m
en
t
ed trjconv -clus
t
ercenter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
am
C
reate applied-forces module grou
p
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abraham
Give MDModules responsibility for option
handling
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Merge
br
a
nch releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k Abr
a
ham
Bum
p
ed version t
o
prepare for
n
ext patch rel
e
ase
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Introduced
system preparation section to user g
u
ide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Ve
r
sion 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Merge br
a
nch release-5-1 into
r
elease-2016
commit
|
commitdiff
|
tree
2017-02-03
Mar
k
A
bra
h
am
R
e
move typ
e
def struct in
s
o
m
e
mdtyp
e
s
files
commit
|
commitdiff
|
tree
2017-02-02
M
a
rk Abraham
Cl
a
rify
use of
tau-p and p
c
oupltyp
e
commit
|
commitdiff
|
tree
2017-01-31
Ma
r
k A
b
raham
M
e
rge
b
r
anch release-5-1
i
nt
o
release-2
0
16
commit
|
commitdiff
|
tree
2017-01-30
M
a
rk Ab
r
aham
Fix multi
-
domain reru
n
s
commit
|
commitdiff
|
tree
2017-01-30
Mark Ab
r
aham
Don't print invalid per
f
orma
n
ce data
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
Stopped he
a
de
r
files including state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraha
m
Fixed gmx
rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Ma
r
k Abraham
Removed init_state
commit
|
commitdiff
|
tree
2017-01-20
Mar
k
Abrah
a
m
Initi
a
l
ize G
M
X
_
*_
L
IB
R
AR
I
ES cmake
v
ar
i
ables
e
arlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abrah
a
m
Mer
g
e branch release-20
1
6
commit
|
commitdiff
|
tree
2017-01-06
Mark
A
braha
m
Docu
m
e
nt ISerialize
r
c
l
ass
commit
|
commitdiff
|
tree
2017-01-04
Ma
r
k Abraham
Stop try
i
n
g
to use objdum
p
--reloc on Ma
c
commit
|
commitdiff
|
tree
2017-01-04
Mark A
b
raham
Fix docu
m
ent
a
tion of
OptionsVis
i
tor
commit
|
commitdiff
|
tree
2017-01-03
Ma
r
k Abr
a
ham
Mer
g
e
b
ranch release
-
5-1 into rele
a
se
-
2016
commit
|
commitdiff
|
tree
2016-12-20
Ma
r
k
Abraham
Correct
e
d documentatio
n
about e
i
genvalue handling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Improve
buil
d
system for plugin support
commit
|
commitdiff
|
tree
2016-12-20
Mark
Abraham
Sanitiz
e
some
i
nclude
h
e
aders
commit
|
commitdiff
|
tree
2016-12-20
Mark Abr
a
ham
Merge
b
ranc
h
release-2016
commit
|
commitdiff
|
tree
2016-12-15
M
ark Abra
h
a
m
Removed
suppo
r
t for multip
l
e e
n
tries in mdp files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Hand
l
e warninp
c
orr
e
ct
l
y in xpm2
p
s
and membed
commit
|
commitdiff
|
tree
2016-12-14
Ma
r
k
Abr
a
h
a
m
Fix m
i
s
l
eading
parall
e
lization docs
f
or gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
F
ix logic
o
f
TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Remove n
x
f
r
ame from t_trxstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark Abr
a
ham
Consolidate files suppor
t
ing TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
M
ark Abr
a
h
a
m
Merge b
r
anch rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-12-07
M
ark Ab
r
aham
F
ix memory
h
a
n
dli
n
g in
gmx dump of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark A
b
raham
Remo
v
e undue narrowing of int
e
ger in TNG rea
d
ing
commit
|
commitdiff
|
tree
2016-12-01
Mark Abra
h
am
Add INSTALL-dev to aid pe
o
ple doing
unusual builds
commit
|
commitdiff
|
tree
2016-12-01
Mark Abra
h
am
Fix mino
r
trjconv bug
commit
|
commitdiff
|
tree
2016-11-23
Mark Ab
r
ah
a
m
S
t
op including tng_
i
o_fw
d
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Enhanced
ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
braha
m
Created paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Remove unimp
l
emented gmx trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraham
Merge branch
release-2
0
16
commit
|
commitdiff
|
tree
2016-10-31
Mark Abr
a
h
am
M
e
r
g
e bra
n
ch
release-2016
commit
|
commitdiff
|
tree
2016-10-28
Mark Abra
h
am
Bumped version to
p
repare for next patch re
l
ease
commit
|
commitdiff
|
tree
2016-10-28
Mark Ab
r
a
h
a
m
Version
2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
M
ark Abr
a
ham
Updat
e
ins
t
all guide
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
U
pda
t
e
cppcheck support to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abr
a
ha
m
Upgrade
c
overage matri
x
.
commit
|
commitdiff
|
tree
2016-10-18
M
ark
A
br
a
ham
Fix SIMD suggestion f
o
r VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abraha
m
Make re
g
r
essiontests updat
e
r
build work for master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
M
a
rk
Abraha
m
Upda
t
e for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark
Abraham
Me
r
g
e "Merge
branch release-2016
"
commit
|
commitdiff
|
tree
2016-10-09
M
a
rk Abraham
Merge
b
ra
n
ch release
-
2
016
commit
|
commitdiff
|
tree
2016-10-07
M
a
rk A
b
ra
h
am
Add script for Jenkins regre
s
siontest upda
t
e job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branch re
l
ease-5-1 into
r
e
le
a
se-20
1
6
commit
|
commitdiff
|
tree
2016-10-03
Mar
k
Abraham
Replace use o
f
deprecate
d
rea
d
d
i
r_r
commit
|
commitdiff
|
tree
2016-09-12
M
ark Abraham
Preliminary
c
lean up of NVML code
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
M
e
r
ge bran
c
h rel
e
ase-5-
1
into release-
2
0
1
6
commit
|
commitdiff
|
tree
2016-09-08
Mark
Abraham
Bum
p
ed patch number to prepare for future 5
.
1
.
5 releas
e
commit
|
commitdiff
|
tree
next