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Allow creating mock HardwareTopology objects
2016-05-12
Mar
k
Abrah
a
m
Merge branch release-5-1 into r
e
lease-20
1
6
commit
|
commitdiff
|
tree
2016-05-12
Mark Abr
a
h
a
m
GROMACS 2016 bet
a
1 release
commit
|
commitdiff
|
tree
2016-05-10
Mark A
b
raham
Bump clang static
a
na
l
yzer
t
o ver
s
ion
3
.
8
commit
|
commitdiff
|
tree
2016-05-10
M
a
rk Abraham
M
inor upd
a
te
t
o sphin
x
de
p
endency
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Facilitate linki
n
g
with
libc
x
x
commit
|
commitdiff
|
tree
2016-05-08
Mark A
b
r
a
ham
Fixes f
o
r
clang 3
.
7
on Pow
e
rPC
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraham
Fix consta
n
ts, units
a
nd
conversion factors
commit
|
commitdiff
|
tree
2016-04-27
Mark Abraha
m
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-04-19
M
a
rk Abraham
Repla
c
e lib
x
ml2 with t
i
ny
x
m
l2 for
use
in te
s
t code
commit
|
commitdiff
|
tree
2016-04-19
Mark
Abraham
Fix parse_digits_from_string
commit
|
commitdiff
|
tree
2016-04-19
Mark Ab
r
ah
a
m
Fix
m
dp label ge
n
eration
commit
|
commitdiff
|
tree
2016-04-18
Mark Abraham
Reduce compi
l
at
i
on coupling of SIMD module
commit
|
commitdiff
|
tree
2016-04-14
M
a
r
k Abraham
Merge
b
r
a
n
c
h release-5-1
commit
|
commitdiff
|
tree
2016-04-01
Ma
r
k Abraham
Re
v
ert to treati
n
g -1 as "gene
r
ate a see
d
"
in
.
mdp
commit
|
commitdiff
|
tree
2016-03-31
M
a
rk Abraham
Add test and improved d
o
cs
f
or custom
c
heckSeque
n
ce
commit
|
commitdiff
|
tree
2016-03-30
M
a
rk A
b
raha
m
Cl
e
an up vsi
t
e code
commit
|
commitdiff
|
tree
2016-03-19
Mark
A
bra
h
am
Add more const correctness
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Fix warning from GC
C
6
commit
|
commitdiff
|
tree
2016-03-19
Ma
r
k Ab
r
aham
Improved some m
d
run integ
r
a
ti
o
n tests
commit
|
commitdiff
|
tree
2016-03-18
M
a
r
k
Abraha
m
Wa
r
n a
b
out
O
pe
n
MPI 1
.
8
.
6
commit
|
commitdiff
|
tree
2016-03-18
M
ark Abra
h
a
m
F
i
x typo
i
n Fourie
r
di
h
e
d
ral
e
q
u
ati
o
n
commit
|
commitdiff
|
tree
2016-03-15
Mark
Ab
r
aham
M
e
rge branc
h
rele
a
se-5-0 into re
l
ease-5
-
1
commit
|
commitdiff
|
tree
2016-03-12
Ma
r
k
Abr
a
ham
Update
u
se of isnan in lin
e
a
r
algebra
commit
|
commitdiff
|
tree
2016-03-12
Mark
A
br
a
ham
Find hw
l
o
c quietly if
i
t's alr
e
a
dy been fo
u
n
d
commit
|
commitdiff
|
tree
2016-03-11
Mark Abraham
Ad
d
infrastructure for tests to co
m
par
e
mdruns
commit
|
commitdiff
|
tree
2016-03-11
M
a
rk
A
braham
Merge branch
r
eleas
e
-5-0 int
o
r
e
lease-5-
1
commit
|
commitdiff
|
tree
2016-03-10
Ma
r
k
Abraham
Require 2015
v
e
r
sion
f
or MSVC
commit
|
commitdiff
|
tree
2016-03-05
Mar
k
A
br
a
h
am
Add SE
T
TLE
u
nit t
e
s
ts
commit
|
commitdiff
|
tree
2016-02-26
Mark Abraham
Sep
a
rated
test of
C
DATA end tag handling from other
s
commit
|
commitdiff
|
tree
2016-02-23
Mar
k
Abraham
Rep
l
ace cppche
c
k sup
p
r
ession in checkpoint
code
commit
|
commitdiff
|
tree
2016-02-22
Mark Abraham
Move i
n
it of specialized dynamical algorithms to do_md
commit
|
commitdiff
|
tree
2016-02-21
Mark Ab
r
a
ham
Se
p
ar
a
te table construction
commit
|
commitdiff
|
tree
2016-02-19
M
a
rk
Abr
a
ham
Merge bran
c
h
release-
5
-1
commit
|
commitdiff
|
tree
2016-02-19
M
a
rk Abrah
a
m
Ma
k
e
both f
t
p and http
link
s
for sou
r
ce download
commit
|
commitdiff
|
tree
2016-02-18
Mar
k
A
braham
Updated
r
eferen
c
e
m
anual text abou
t
P
M
E
tuning
commit
|
commitdiff
|
tree
2016-02-16
Mark A
b
raham
Me
r
ge branch release-
5
-0 into
r
e
l
ease-5-1
commit
|
commitdiff
|
tree
2016-02-14
M
ark Abraham
R
e-gen
e
rated eps for f
i
gure 4
.
8
commit
|
commitdiff
|
tree
2016-02-10
Mark Ab
r
a
h
am
Re-remove
*_s
t
ochd
_
state function declarations
commit
|
commitdiff
|
tree
2016-02-10
Mark
Abraham
Improved update_
c
oords hand
l
ing o
f
xpr
i
me
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Fix issue
s
to update
cp
p
check s
u
pport to 1
.
72
commit
|
commitdiff
|
tree
2016-02-08
Mark Abraham
Merge branch re
l
ease-5-0
i
nto release
-
5-1
commit
|
commitdiff
|
tree
2016-02-06
Mark Ab
r
aham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark A
b
raham
Bu
m
ped patch number t
o
prep
a
re for
futu
r
e 5
.
1
.
3 release
commit
|
commitdiff
|
tree
2016-02-03
Mark
A
braham
V
e
rsion 5
.
1
.
2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
F
ix gr
o
mpp no
t
warning when
.
mdp va
l
ue
s
have w
r
o
n
g
.
.
.
commit
|
commitdiff
|
tree
2016-02-03
M
a
rk
A
brah
a
m
Merge release-5-0
i
nto rele
a
se-5-1
commit
|
commitdiff
|
tree
2016-02-03
M
ark Abra
h
am
Fix dEkin/dl hand
l
ing with multiple ranks
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Merge b
r
anch
release-
5
-1
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Fix
u
se of __APPLE
_
_ in OpenCL
c
ode
commit
|
commitdiff
|
tree
2016-01-28
M
a
rk A
b
raham
Add OpenCL source file
types to co
p
yright checker
commit
|
commitdiff
|
tree
2016-01-28
Mark Abrah
a
m
A
v
o
i
d FP
ex
c
eption
commit
|
commitdiff
|
tree
2016-01-27
Mark Abr
a
ham
Mer
g
e branch rel
e
ase-5-1
commit
|
commitdiff
|
tree
2016-01-27
Mark
Abrah
a
m
Remove bNotL
a
stFrame
commit
|
commitdiff
|
tree
2016-01-27
Mark Ab
r
aha
m
A
dd suggestions
for updating bin
u
tils
commit
|
commitdiff
|
tree
2016-01-26
Mark A
b
raham
Fix
defaul
t
for GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
Mark A
b
raham
M
er
g
e b
r
anch r
e
l
e
ase-
5
-
1
commit
|
commitdiff
|
tree
2016-01-24
Mark Abraham
Fix duplicate LaTeX equation
l
abel
commit
|
commitdiff
|
tree
2016-01-24
Mark A
b
r
aham
Update
r
eferences to HTM
L
and
online documentat
i
on
commit
|
commitdiff
|
tree
2016-01-14
Mark
A
b
raham
P
e
rmit cu
s
tomiz
e
d t
e
sting of grompp and mdru
n
commit
|
commitdiff
|
tree
2016-01-13
Mark Abraham
A
llowed
N
VML suppor
t
to be toggled
commit
|
commitdiff
|
tree
2016-01-12
Mark Abrah
a
m
M
erge
b
ranch release-5-0 in
t
o relea
s
e-5-1
commit
|
commitdiff
|
tree
2016-01-11
Mark Abrah
a
m
Improved update_coords
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Improve tpr
h
e
ader vers
i
on ha
n
dling
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
M
ark Abraham
Fix some mdrun header
depen
d
enc
i
es
commit
|
commitdiff
|
tree
2016-01-07
Mark A
b
raham
Avo
i
d
m
or
e
C++ bindi
n
gs fo
r
MPI
commit
|
commitdiff
|
tree
2016-01-07
Ma
r
k
Abrah
a
m
Doc
u
m
ent how
p
otential-swit
c
h works
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
b
raham
Stop usi
n
g UNDEFINED as nam
e
of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
b
r
a
ham
Remo
v
e fi
e
l
ds use
d
only
f
or SD2
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
B
ack
p
ort
m
d
-vv fixes
commit
|
commitdiff
|
tree
2016-01-07
Mark
A
braham
Remove
S
D2 integrator
commit
|
commitdiff
|
tree
2016-01-06
Mark Abraham
Fix spu
r
ious gcc warni
n
g
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraham
Fix l
o
gic for
DD missin
g
-i
n
terac
t
ion
s
check
commit
|
commitdiff
|
tree
2016-01-05
Mark Abraham
Use
EXPECT_TRU
E
and
EXPECT_F
A
LSE in new SIM
D
tes
t
s
commit
|
commitdiff
|
tree
2016-01-04
Mark Abraham
Change GMX_D
O
UBL
E
to be al
w
ays defined
commit
|
commitdiff
|
tree
2015-12-28
Mark
A
brah
a
m
Create invertmatrix
.
h
commit
|
commitdiff
|
tree
2015-12-28
Mark Abra
h
am
Mer
g
e
b
ranch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
M
a
r
k
Abraham
Fix s
o
me O
p
e
n
CL issues
commit
|
commitdiff
|
tree
2015-12-24
Mark
A
b
r
aham
Moved respons
i
bility for f_globa
l
commit
|
commitdiff
|
tree
2015-12-24
Mark
A
braham
Shell
c
ode clean
u
p
commit
|
commitdiff
|
tree
2015-12-17
Mar
k
Abrah
a
m
Simplified
e
nergy-su
m
mation code
commit
|
commitdiff
|
tree
2015-12-12
Mark Abraham
Broke u
p
copyright
.
*
commit
|
commitdiff
|
tree
2015-12-12
Ma
r
k
Abrah
a
m
Require Nose-Hoover with MT
T
K
commit
|
commitdiff
|
tree
2015-12-11
Mark Ab
r
aham
Stop g
l
ob
a
l communication de
p
end
i
n
g
on
integrator
commit
|
commitdiff
|
tree
2015-12-10
Mark Abraha
m
Merge br
a
n
c
h
'o
r
i
g
i
n/re
l
e
a
s
e-5
-
1'
commit
|
commitdiff
|
tree
2015-12-09
M
a
rk Abraham
Up
d
a
te use of preprocessor in managing GPU support
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Merge bran
c
h
'release-5-
0
' into r
e
lease-5
-
1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abra
h
am
F
ix Tro
t
t
e
r integration
commit
|
commitdiff
|
tree
2015-12-03
M
ark Abraham
Remove mdrun -co
m
pact
commit
|
commitdiff
|
tree
2015-12-02
M
a
r
k
Abra
h
am
Remove
twin-range s
c
heme
commit
|
commitdiff
|
tree
2015-11-30
Mark Ab
r
a
ham
Refactor hardware in
f
ormati
o
n managem
e
nt
commit
|
commitdiff
|
tree
2015-11-25
Mar
k
Abrah
a
m
Fix logic
o
f dd
_
print_missing_interactions exit
commit
|
commitdiff
|
tree
2015-11-24
Mark Abraham
Fix error in mu
l
ti-sim commu
n
ication
commit
|
commitdiff
|
tree
2015-11-23
Ma
r
k Abraham
Update and expand pre
-
submit commit matrix
commit
|
commitdiff
|
tree
2015-11-22
Mark Ab
r
aham
Fix generic group-scheme k
e
rnel table d
e
refer
e
n
c
ing
commit
|
commitdiff
|
tree
2015-11-20
Mark
A
braha
m
Spli
t
wallcycl
e
interface
commit
|
commitdiff
|
tree
2015-11-20
M
ark Abraham
Remov
e
e
w
cWAIT_GPU_NB_L_EST
commit
|
commitdiff
|
tree
2015-11-19
M
a
rk
A
b
raham
Sim
p
lified init and mdrun
c
ode
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
F
ix us
e
of #if vs #ifdef
commit
|
commitdiff
|
tree
2015-11-16
Mark
A
braham
Remove t_adress
commit
|
commitdiff
|
tree
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