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Make release matrix work again
2017-10-26
Mar
k
Abraham
Make re
l
ease matrix work
a
gain
commit
|
commitdiff
|
tree
2017-10-26
Mark Abr
a
ham
New quote
commit
|
commitdiff
|
tree
2017-10-25
Mark Abraham
Teach
t
h
e copyright checker about tem
p
late
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
M
a
rk A
b
raham
Merge branch release-20
1
6
commit
|
commitdiff
|
tree
2017-10-16
Ma
r
k
A
braham
Merge
b
r
anch rel
e
ase-2
0
1
6
commit
|
commitdiff
|
tree
2017-10-13
Mark
Abraham
Update tests for C++11 compiler and standard
library
commit
|
commitdiff
|
tree
2017-10-13
Ma
r
k Abraham
Fix
c
puinfo
on cl
a
ng
+ non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abrah
a
m
Introduced hea
d
er fo
r
comm
u
nic
a
tio
n
t
o
/
f
rom PME ran
k
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Clea
n
ed up ewal
d
coef
f
f
or PME-only ran
k
s
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
U
se clang-5 in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
Mark Abraham
Tel
l
cppcheck that
.
cpp and
.
c
u files a
r
e c+
+
commit
|
commitdiff
|
tree
2017-10-05
Mark Abraham
Continue removi
n
g -nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
M
a
rk
A
bra
h
am
Enable gr
o
up-
s
cheme
S
IMD w
i
t
h
GM
X
_SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Ma
r
k Abraham
Introduce and use
A
lign
e
d
AllocationPolicy
commit
|
commitdiff
|
tree
2017-09-19
Ma
r
k
Abraham
Update te
s
ting matrices to test wi
t
h
(
l
atest)
i
c
c
-18
commit
|
commitdiff
|
tree
2017-09-17
Mark Abraham
M
e
rge b
r
anch release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark
Abraham
Expr
e
ss inten
t
of matrix
r
elease bu
i
ld
t
yp
e
s
e
xplicitly
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraham
Bu
m
p
e
d patch version for
n
ext
r
elea
s
e
commit
|
commitdiff
|
tree
2017-09-15
M
a
rk Abraham
V
e
r
si
o
n 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
M
a
rk Abraham
Form task
a
ss
i
g
n
ment
m
od
u
l
e
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Fix compat
module definitio
n
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Merge
b
ra
n
ch
release-201
6
commit
|
commitdiff
|
tree
2017-09-07
Ma
r
k Abraham
Introduce type-sa
f
e GPU emula
t
ion vari
a
bles
commit
|
commitdiff
|
tree
2017-09-07
Mark
Abraham
Enable gr
o
up-sc
h
eme SIMD
k
ernels on recent AVX extensions
commit
|
commitdiff
|
tree
2017-09-06
Mark Ab
r
aham
Prepare
V
erlet scheme
l
a
ter in runner
commit
|
commitdiff
|
tree
2017-09-05
M
a
rk
Ab
r
aha
m
Fixes
f
o
r
S
o
laris
commit
|
commitdiff
|
tree
2017-09-05
Mar
k
A
b
raham
Fix use of GPU infor
m
ation f
o
r
thread-MPI setu
p
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
Fi
x
com
p
i
ler flags for using MKL
commit
|
commitdiff
|
tree
2017-09-03
Ma
r
k
Abraham
Merg
e
br
a
nch
r
elease
-
5-1 into
r
elease-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abraham
F
ix flat-b
o
ttomed positi
o
n r
e
str
a
ints w
i
t
h multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
Stoppe
d
c
h
ec
k
point in
f
luencing parallelism
s
e
t
up
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk Ab
r
a
h
am
Run GPU detection
e
v
en f
o
r mdrun -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Fi
x
e
d
thre
a
d-MPI
with n
o
n-
d
efault -npme
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
Abraham
Fix missing dec
l
aration
o
f
G
M
X
_U
N
USED_V
A
LUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
M
e
r
g
e branch release-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
M
o
ved increase_nstlis
t
(
) to nb
n
x
n_tu
n
ing
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
F
i
x co
m
p
i
latio
n
issues with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
M
a
rk Abraha
m
Replace consiste
n
cy
checki
n
g
with asserti
o
n
commit
|
commitdiff
|
tree
2017-08-16
Mark Ab
r
aham
Parse us
e
r-supp
l
ied
G
P
U task assi
g
nment o
n
ly when needed
commit
|
commitdiff
|
tree
2017-08-16
Mark
A
brah
a
m
Remove dupl
i
c
a
te GPU n
o
n-
u
sage hin
t
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Moved loggi
n
g functionality
into
GP
U
u
s
a
ge report
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge branch release
-
5
-1 into release-2
0
16
commit
|
commitdiff
|
tree
2017-08-15
M
ark Abraham
Fi
x
value of Ewal
d
sh
i
f
t
commit
|
commitdiff
|
tree
2017-08-10
Mark Abra
h
am
Clarify data
flow in GPU task assignment
commit
|
commitdiff
|
tree
2017-08-07
M
a
rk Abraham
Fix include depende
n
cy
f
or getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Simpli
f
ied han
d
ling of GPU
device IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraha
m
Simplify resource
-
di
v
ision efficiency check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Split
pr
i
nt
h
a
r
dware from detecth
a
rdware
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
raham
Decouple task assignmen
t
from task ex
e
c
ution
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Rem
o
v
e
d unused hos
t
-side all
o
cation
c
ode
commit
|
commitdiff
|
tree
2017-08-04
Mark
A
bra
h
a
m
Stop
u
si
n
g
hwinfo_g for reporti
n
g c
o
de
commit
|
commitdiff
|
tree
2017-08-03
Mark
A
braha
m
Removed unus
e
d inclu
d
e statements
commit
|
commitdiff
|
tree
2017-08-01
Mark A
b
raham
I
n
tr
o
du
c
ed Mdru
n
ner high-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enhance
cmake and
releng hand
l
ing
of GMX
_
USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
M
a
rk Abraham
Separated respons
i
b
i
lity for
c
onsis
t
ency c
h
e
c
king
commit
|
commitdiff
|
tree
2017-07-24
Mar
k
Abraham
Remove unnecessary GPU c
h
ecking
code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Clea
n
ed up bUse
G
pu in runner
commit
|
commitdiff
|
tree
2017-07-20
Mar
k
Ab
r
aham
Stop
d
uplicat
e
pri
n
ting of
detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abr
a
ha
m
Fix use
o
f
G
MX_SIMD in own
-
f
ft
w
build
commit
|
commitdiff
|
tree
2017-07-19
M
ark A
b
ra
h
am
Ma
d
e post-
s
ubmit config to test cla
n
g+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk Ab
r
aha
m
Improv
e
CMake
i
mplementa
t
ion f
o
r GMX
_
SIMD
commit
|
commitdiff
|
tree
2017-07-18
M
a
rk Abraham
Converted some c
o
nst
pointers into const refe
r
ences
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mar
k
Abraham
Eli
m
inated pick_n
b
nxn_resource
s
commit
|
commitdiff
|
tree
2017-07-14
Mar
k
Abr
a
ham
Implemented grompp -po for op
t
i
o
ns-style
m
dp handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Clean up cmake build
host detectio
n
commit
|
commitdiff
|
tree
2017-07-13
Ma
r
k
A
b
raham
Clean up gmx_mdr
u
n()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
C
leane
d
u
p mdrunner
_
st
a
rt
_
thre
a
ds
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
M
o
r
e
u
p
d
ates to
test
i
ng m
a
trix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
R
e
factor er
r
or
h
andling in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark
Ab
r
aham
Si
m
plify
g
mx_gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Cl
e
an
u
p
pick
_
n
b
nxn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark
Abraham
Clean
e
d up GPU emulation logic
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
C
l
eaned up high-lev
e
l bo
o
lean vari
a
bl
e
naming
commit
|
commitdiff
|
tree
2017-06-28
Mar
k
Abrah
a
m
Fi
x
specificati
o
n f
o
r gc
c
-
6
commit
|
commitdiff
|
tree
2017-06-28
M
a
r
k Abraham
M
e
rge bran
c
h
rel
e
ase-
2
0
16
commit
|
commitdiff
|
tree
2017-06-27
Mark A
b
r
a
h
am
M
i
nor improvements
to test conf
i
gs
commit
|
commitdiff
|
tree
2017-06-22
Mar
k
Abraham
Consolidated logic
f
or choosing
numb
e
r of thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraha
m
R
e
pl
a
c
e
mi
s
name
d
nbnxn_gp
u
_
accelera
t
ion_s
u
pported
commit
|
commitdiff
|
tree
2017-06-22
M
ark Ab
r
ah
a
m
Consolidate
and fix logic for mdrun -n
b
and -gp
u
id
commit
|
commitdiff
|
tree
2017-06-21
Ma
r
k Abr
a
h
a
m
Ref
o
r
m
ngpu v
a
riabl
e
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Remove bUserS
e
t
G
p
uIds field
commit
|
commitdiff
|
tree
2017-06-14
Mark Abraham
S
i
mplify rep
o
rt
i
ng from i
n
it_
g
pu
commit
|
commitdiff
|
tree
2017-06-12
M
ark Abraham
Move
g
mx_parse_gp
u
_id out of chec
k
ing funct
i
on
commit
|
commitdiff
|
tree
2017-05-31
Mark Abraham
New quote
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
Fix NV
M
L error m
e
ssages
commit
|
commitdiff
|
tree
2017-05-27
M
a
r
k Abraham
Quotes
f
rom Gott
i
ng
e
n
workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraham
Test inv
s
i
xthroot functio
n
as intended
commit
|
commitdiff
|
tree
2017-05-15
Mark Ab
r
aham
Updated use of compil
e
r spec
i
fiers in
testing
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
raham
Updat
e
d use of gcc-5 sp
e
cifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark Abr
a
ham
Update clang static a
n
alyzer
s
la
v
e to
u
se ver
s
ion 4
commit
|
commitdiff
|
tree
2017-05-14
M
ark Abraham
U
pd
a
t
e cla
n
g-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraha
m
Fix f
o
r
matti
n
g of
MKL cmake docs
commit
|
commitdiff
|
tree
2017-05-09
Mar
k
Abrah
a
m
M
e
rge branch r
e
le
a
se-201
6
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abraham
Cleaned up me
m
ory usage in gm
x
traj an
d
trjc
o
nv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
C
lean up memor
y
usage w
i
th
o
env and xvg
w
riting
commit
|
commitdiff
|
tree
2017-04-17
Mark
A
braham
Minor chan
g
e to GPU com
p
a
tibility reporting ha
n
dlin
g
commit
|
commitdiff
|
tree
2017-04-17
Mark Ab
r
aham
P
r
o
p
o
s
e a post-submit
m
atrix
commit
|
commitdiff
|
tree
2017-04-03
M
a
rk Abraham
R
e
m
ove do_pbc_f
i
rst
commit
|
commitdiff
|
tree
2017-03-31
Ma
r
k Abraham
M
e
rg
e
bra
n
ch release-2016
commit
|
commitdiff
|
tree
2017-03-29
M
a
r
k
Abraham
Fix paramete
r
descr
i
ption for di
h
edral
_
restraint
s
commit
|
commitdiff
|
tree
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