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Fix and update hw_info
2017-10-30
Mark Abr
a
h
a
m
Fix a
n
d
u
p
d
a
te hw_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
F
ix h
w
de
t
ection more
commit
|
commitdiff
|
tree
2017-10-26
M
a
rk Abraham
Mak
e
release matri
x
work again
commit
|
commitdiff
|
tree
2017-10-26
Mark Abraham
New quote
commit
|
commitdiff
|
tree
2017-10-25
Ma
r
k A
b
raham
Teach
t
h
e copyri
g
ht ch
e
cker ab
o
ut temp
l
ate
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Ma
r
k Abraham
Merge br
a
nc
h
rel
e
as
e
-
2016
commit
|
commitdiff
|
tree
2017-10-16
Mark Abraham
M
erge
b
ranch relea
s
e-2016
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Update t
e
sts for C++11
c
o
mpiler
and standard library
commit
|
commitdiff
|
tree
2017-10-13
Mark Abraham
Fix cpuinfo on c
l
ang + non-x86
commit
|
commitdiff
|
tree
2017-10-11
Mark Abraham
Introduc
e
d
h
eader fo
r
commun
i
cation to/from PM
E
ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark
Abraham
Cleaned up ewaldcoeff for PME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
Mark
Abraham
Us
e
cla
n
g
-5 in Jenkins
commit
|
commitdiff
|
tree
2017-10-07
M
a
r
k
Abraham
Tell
c
ppcheck that
.
cp
p
and
.
c
u
files are c++
commit
|
commitdiff
|
tree
2017-10-05
Mark A
b
ra
h
am
Co
n
t
i
nue
r
emoving -nb gpu
_
cpu
commit
|
commitdiff
|
tree
2017-10-04
Mar
k
Abraham
Enable
g
r
oup-sch
e
me
S
I
M
D with GMX_SIMD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark Abra
h
am
Introduce an
d
us
e
Ali
g
nedAllocation
P
olic
y
commit
|
commitdiff
|
tree
2017-09-19
M
a
rk Abraham
Update testing matric
e
s to tes
t
with (la
t
est) icc-
1
8
commit
|
commitdiff
|
tree
2017-09-17
Mark Abr
a
ham
Merge b
r
anch release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark Abraha
m
Ex
p
res
s
intent of matri
x
release build typ
e
s
expli
c
i
t
ly
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
A
b
raham
B
umped patch vers
i
on for n
e
xt release
commit
|
commitdiff
|
tree
2017-09-15
Mar
k
Abraham
Version 2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form taskassignment module
commit
|
commitdiff
|
tree
2017-09-14
Mar
k
Abraham
Fix compat m
o
d
ule
d
efini
t
io
n
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraha
m
M
e
rge br
a
nch release-2016
commit
|
commitdiff
|
tree
2017-09-07
M
a
rk Abraham
Introduce type-safe GPU emu
l
ati
o
n variable
s
commit
|
commitdiff
|
tree
2017-09-07
Mark Ab
r
aham
E
n
ab
l
e
group
-
s
cheme
SIMD kernels
o
n r
e
cent
A
VX extensions
commit
|
commitdiff
|
tree
2017-09-06
Mark Abra
h
am
Pr
e
pare Verlet scheme later in
runner
commit
|
commitdiff
|
tree
2017-09-05
M
a
rk Abraha
m
Fixes for S
o
laris
commit
|
commitdiff
|
tree
2017-09-05
M
a
r
k Abraham
Fix use of
G
PU information f
o
r threa
d
-MPI
s
etup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Fix
compiler flags for using MKL
commit
|
commitdiff
|
tree
2017-09-03
M
ark Abraham
Merge b
r
anch rele
a
se-5-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2017-08-25
M
a
rk Abra
h
am
F
i
x
f
l
at-bottomed position
r
e
straints w
i
th multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Mark Abraham
S
topped chec
k
point
influencing
p
a
r
allelism setup
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k
Abraha
m
Run G
P
U detection
even for mdrun
-nb c
p
u
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k Abraham
Fixed thread-MPI with non-defa
u
lt
-
n
p
me
commit
|
commitdiff
|
tree
2017-08-22
Mark Abra
h
a
m
Fix missing
d
eclar
a
ti
o
n
of
G
MX
_
UNUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Merg
e
bran
c
h re
l
ease-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraha
m
Moved increase_nstlist() to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Ma
r
k A
b
raham
Fix
c
ompilation issues
with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark
A
braham
Re
p
lace
c
on
s
istency checking with asse
r
ti
o
n
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraha
m
P
arse user-supplied GP
U
task as
s
i
g
nment only w
h
en needed
commit
|
commitdiff
|
tree
2017-08-16
Mark
Ab
r
aham
Remove d
u
pli
c
ate GPU no
n
-usage
hi
n
t
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraham
M
o
v
e
d
l
o
g
ging func
t
ionality into
GPU usage rep
o
rt
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraha
m
Merge branch rel
e
ase
-
5-
1
into release-20
1
6
commit
|
commitdiff
|
tree
2017-08-15
M
ark Abrah
a
m
Fi
x
v
alue
o
f Ewald shif
t
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
Clarify data flow in GP
U
task ass
i
gnment
commit
|
commitdiff
|
tree
2017-08-07
Mark
A
braham
Fix include depe
n
d
e
ncy for get
e
nv
commit
|
commitdiff
|
tree
2017-08-07
Mar
k
Abraham
Simpl
i
fied handling of
G
P
U
d
ev
i
ce
I
Ds
commit
|
commitdiff
|
tree
2017-08-06
M
ar
k
Abra
h
am
Simp
l
ify resou
r
ce-division efficien
c
y
c
heck
commit
|
commitdiff
|
tree
2017-08-06
M
ark
A
b
ra
h
am
Spl
i
t
printhardwa
r
e
from d
e
t
e
cthar
d
ware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decoup
l
e task assignment from t
a
sk execution
commit
|
commitdiff
|
tree
2017-08-06
Mark
Ab
r
aham
Removed unused
h
ost-side
all
o
cati
o
n code
commit
|
commitdiff
|
tree
2017-08-04
Ma
r
k Abraham
S
top
u
sing h
w
info_
g
for reporting code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed
u
nused include sta
t
ements
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraham
Int
r
oduce
d
Mdrunner
h
igh-leve
l
c
lass
commit
|
commitdiff
|
tree
2017-07-27
Ma
r
k Abraham
Enhance
cmake
a
nd
r
e
le
n
g
handling of G
M
X_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Ab
r
a
ham
Separated r
e
s
p
o
ns
i
bi
l
ity for consistency c
h
ecking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abrah
a
m
Remove unnecessary
G
PU checking code
commit
|
commitdiff
|
tree
2017-07-20
Mark Ab
r
aham
C
l
e
ane
d
up bUse
G
pu in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abrah
a
m
Stop duplicate pri
n
ting of de
t
ecte
d
GP
U
s
commit
|
commitdiff
|
tree
2017-07-20
M
a
r
k Abraham
Fix
u
se o
f
GMX
_
SIMD in own-
f
f
tw build
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
M
ade pos
t
-su
b
mit co
n
fig to
t
e
st cla
n
g+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk Abraham
Improve CMake
i
m
p
l
e
mentati
o
n for GMX_S
I
MD
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
C
o
nverted
some
const p
o
inters into con
s
t references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Elimin
a
t
e
d pick_nb
n
xn_resourc
e
s
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Impl
e
mented grompp -po for options-style
m
dp handling
commit
|
commitdiff
|
tree
2017-07-14
M
a
rk Abraham
Clean u
p
c
make b
u
ild host de
t
ection
commit
|
commitdiff
|
tree
2017-07-13
Ma
r
k Abraham
Clean
u
p gmx_mdrun
(
)
commit
|
commitdiff
|
tree
2017-07-13
M
ark
A
b
r
aham
Cleaned u
p
mdr
u
n
ner_start
_
threads
commit
|
commitdiff
|
tree
2017-07-13
M
a
rk Abraham
More u
p
dat
e
s to testing
m
atrix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refactor error handling in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mar
k
Abraham
Simplif
y
gmx_
g
pu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mar
k
Ab
r
a
h
a
m
Clean
up pick_nbnxn_reso
u
rces
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
Cleaned up
G
PU emu
l
ati
o
n logic
commit
|
commitdiff
|
tree
2017-06-28
Mark
Abraha
m
Cleaned
up
h
igh-level boolean variable naming
commit
|
commitdiff
|
tree
2017-06-28
Mark
A
braham
Fix specification
fo
r
g
cc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark A
b
rah
a
m
Merge branch
release-2016
commit
|
commitdiff
|
tree
2017-06-27
M
ark Abraham
M
inor impr
o
veme
n
t
s
to test c
o
n
f
igs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consoli
d
ated logic for choosing number
of
t
hread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k
A
b
raham
Replace
m
isnamed nbnxn_gp
u
_acc
e
l
e
rati
o
n_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark A
b
raham
Con
s
o
l
i
d
a
te and fi
x
lo
g
ic for mdrun -nb and -g
p
uid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abrah
a
m
Reform ngp
u
variable
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Remo
v
e bUserSetGpuIds fie
l
d
commit
|
commitdiff
|
tree
2017-06-14
Mark Abraham
Sim
p
lif
y
r
eporting f
r
om init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mar
k
Abraham
Move gmx_parse_gpu_id out
o
f
c
h
ecking function
commit
|
commitdiff
|
tree
2017-05-31
Mark Abraham
N
e
w
quote
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
Fix NVML
e
rror messages
commit
|
commitdiff
|
tree
2017-05-27
Ma
r
k Abraham
Quo
t
es from Gottingen workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark A
b
raham
T
e
s
t invsixthroo
t
fun
c
tion
a
s intended
commit
|
commitdiff
|
tree
2017-05-15
M
a
rk
Abra
h
am
U
p
d
a
ted use of co
m
piler spe
c
ifiers in testing
commit
|
commitdiff
|
tree
2017-05-15
Mark
Abraha
m
Updat
e
d use of gcc-5 sp
e
cifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
U
p
date clang static analyze
r
sla
v
e to use version 4
commit
|
commitdiff
|
tree
2017-05-14
Ma
r
k
A
braham
Update clang
-
4
commit
|
commitdiff
|
tree
2017-05-09
Mark
Abraham
Fix format
t
ing of MKL cmake
docs
commit
|
commitdiff
|
tree
2017-05-09
Mar
k
Abraham
Me
r
ge branch release-2016
commit
|
commitdiff
|
tree
2017-05-09
M
ark Abrah
a
m
Cleaned up
m
emory
usa
g
e in gmx traj and trjconv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abrah
a
m
Clean up
m
emory us
a
ge with oenv an
d
xvg writi
n
g
commit
|
commitdiff
|
tree
2017-04-17
M
a
rk Abr
a
ham
Minor change
t
o GPU compatibility re
p
o
r
ting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark A
b
raham
Propose a po
s
t
-submit matrix
commit
|
commitdiff
|
tree
2017-04-03
Mark
Abr
a
ham
R
e
move do_pbc_first
commit
|
commitdiff
|
tree
next