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Fix and update hw_info
2017-10-30
Mark
Abraha
m
Fix and update
h
w_info
commit
|
commitdiff
|
tree
2017-10-27
Mark Abraham
F
ix hw det
e
ctio
n
more
commit
|
commitdiff
|
tree
2017-10-26
Mark Ab
r
aham
Make release matrix
w
o
r
k again
commit
|
commitdiff
|
tree
2017-10-26
Ma
r
k A
b
raham
New quote
commit
|
commitdiff
|
tree
2017-10-25
Mark A
b
raham
Teach
t
he co
p
yright checker about tem
p
late
.
cpp
commit
|
commitdiff
|
tree
2017-10-20
Ma
r
k Abr
a
ham
Merge
b
ranch release-2016
commit
|
commitdiff
|
tree
2017-10-16
M
a
rk Abr
a
ham
Merge branch re
l
e
ase-201
6
commit
|
commitdiff
|
tree
2017-10-13
Ma
r
k Abraham
Upda
t
e tests for
C
++11 comp
i
ler and standard library
commit
|
commitdiff
|
tree
2017-10-13
M
a
r
k
Abrah
a
m
Fix cpuinfo on clang + non-x
8
6
commit
|
commitdiff
|
tree
2017-10-11
Mark Abra
h
am
Introd
u
ced
h
eader for communica
t
io
n
t
o/from PME
r
a
n
ks
commit
|
commitdiff
|
tree
2017-10-11
Ma
r
k
Abraha
m
Cle
a
ned up ew
a
ldc
o
eff for
P
ME-only ranks
commit
|
commitdiff
|
tree
2017-10-11
M
a
rk Abrah
a
m
Use
clang-5
i
n
J
enki
n
s
commit
|
commitdiff
|
tree
2017-10-07
Ma
r
k Abraham
Tell
c
p
pcheck that
.
cpp and
.
cu file
s
are c++
commit
|
commitdiff
|
tree
2017-10-05
M
a
r
k Abraham
Contin
u
e
r
em
o
ving -nb gp
u
_cpu
commit
|
commitdiff
|
tree
2017-10-04
Mark Abraham
Enabl
e
group-scheme SIMD with GMX_S
I
MD=AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark
A
braham
Introduce
and use Al
i
gned
A
lloc
a
tionPol
i
cy
commit
|
commitdiff
|
tree
2017-09-19
Ma
r
k Abraham
Upd
a
te t
e
sting matri
c
es to te
s
t w
i
t
h (lates
t
)
icc
-
18
commit
|
commitdiff
|
tree
2017-09-17
M
ark Abraham
Mer
g
e br
a
nch release-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
b
r
a
ham
E
x
press intent
o
f matrix relea
s
e bu
i
ld types explicitly
commit
|
commitdiff
|
tree
2017-09-15
Ma
r
k Abraham
Bumped patch versi
o
n for next release
commit
|
commitdiff
|
tree
2017-09-15
Mark
A
b
raham
Ve
r
sio
n
2016
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
Form taskass
i
g
n
m
ent modul
e
commit
|
commitdiff
|
tree
2017-09-14
Ma
r
k
Abraham
F
i
x
compat
m
odule definiti
o
n
commit
|
commitdiff
|
tree
2017-09-12
M
a
rk Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-09-07
M
ark
A
braham
Int
r
oduce type-safe GPU emulation var
i
a
bles
commit
|
commitdiff
|
tree
2017-09-07
M
ark Abraham
Enable gro
u
p-sc
h
eme SIMD kernels on rece
n
t
AVX extensions
commit
|
commitdiff
|
tree
2017-09-06
Mark Abrah
a
m
P
r
epare Verlet scheme
later in
r
unner
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraham
Fixe
s
for Sol
a
ris
commit
|
commitdiff
|
tree
2017-09-05
Ma
r
k Ab
r
aham
F
i
x
u
s
e of GPU information for thr
e
ad-MPI setup
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraha
m
F
ix compil
e
r flags
for usin
g
MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
Merge branch release-5
-
1 into release-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abraham
Fix flat-
b
otto
m
ed posi
t
ion restrai
n
ts with multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
M
ark Abraham
Stopp
e
d ch
e
ckp
o
i
nt
influe
n
cing parall
e
lism
setup
commit
|
commitdiff
|
tree
2017-08-22
M
ark Abraham
Run GPU detecti
o
n even for md
r
un
-nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraha
m
F
i
xed t
h
read-MPI w
i
th non-def
a
ult -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
ah
a
m
Fix mis
s
ing
declaratio
n
of GMX_UNUSE
D
_VAL
U
E
commit
|
commitdiff
|
tree
2017-08-22
M
a
rk Abraham
Merge
b
ranch r
e
lea
s
e-
2
01
6
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Move
d
i
n
crease_nstlist() to nb
n
xn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
a
rk Ab
r
aham
Fi
x
compi
l
ation issu
e
s wit
h
ARM
S
IM
D
commit
|
commitdiff
|
tree
2017-08-17
Mark Abraham
Re
p
l
a
ce c
o
nsis
t
ency
checking with asse
r
tion
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Parse
u
ser-sup
p
lied GPU task
ass
i
g
nment only when
n
eeded
commit
|
commitdiff
|
tree
2017-08-16
Mark A
b
r
a
ham
Remove du
p
l
icate GPU non
-
usage h
i
nt
commit
|
commitdiff
|
tree
2017-08-16
Mar
k
Abraham
Move
d
logging functiona
l
ity into GPU
u
sage report
commit
|
commitdiff
|
tree
2017-08-15
Mark Abra
h
am
Merge
b
ranch rele
a
se-5-1 into rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark
A
braham
Fix
v
alue of Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
Ma
r
k Abraham
Clar
i
fy data flow in GPU tas
k
assignme
n
t
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Fix inclu
d
e dependency for getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
S
i
mplified handling of GPU dev
i
c
e I
D
s
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abraham
Simp
l
i
fy r
e
sour
c
e-division eff
i
ciency check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
S
plit
printhardware from detecthardware
commit
|
commitdiff
|
tree
2017-08-06
M
ark
Ab
r
a
h
am
Decouple task assignmen
t
from ta
s
k ex
e
cutio
n
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
raham
Removed unu
s
e
d
host-side allocati
o
n
c
ode
commit
|
commitdiff
|
tree
2017-08-04
Mark
A
br
a
h
am
Stop usin
g
hwinfo_g for
repor
t
ing code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Remove
d
unused incl
u
de statements
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraham
Introduced
M
drunner hi
g
h-
l
evel class
commit
|
commitdiff
|
tree
2017-07-27
Mark Ab
r
aha
m
Enhance c
m
a
k
e and
r
eleng
h
andling of GMX_
U
SE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abra
h
am
Separated responsibility for cons
i
s
ten
c
y checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Remove unnece
s
s
ary GPU c
h
ecking code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Cleaned up bUse
G
pu
i
n runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abr
a
h
am
Stop duplicate p
r
inting of detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
F
i
x us
e
of GM
X
_SIMD in own-fftw bui
l
d
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk Abraha
m
M
a
de
post-submi
t
config to test clang+open
m
p
.
commit
|
commitdiff
|
tree
2017-07-19
M
ark
A
braham
Im
p
rove CMake imple
m
e
ntation for
G
M
X
_SIMD
commit
|
commitdiff
|
tree
2017-07-18
M
ar
k
Abraham
Co
n
v
er
t
ed some
c
o
nst
poi
n
t
ers into const re
f
erences
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraha
m
Elimi
n
ate
d
pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Implement
e
d
grompp
-po for opt
i
ons-styl
e
mdp handling
commit
|
commitdiff
|
tree
2017-07-14
Mar
k
Abraham
Clean up cmake build host detection
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Clea
n
u
p
gmx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cleaned u
p
md
r
unner_start_thr
e
ads
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
More updates
to testing matrix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refactor error
handling in i
n
i
t_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abraham
Simplify g
m
x_gpu_
o
pt_t
commit
|
commitdiff
|
tree
2017-07-04
Ma
r
k
Ab
r
aham
Cl
e
an up pick_nbnxn_
r
esources
commit
|
commitdiff
|
tree
2017-07-01
Mark
Abrah
a
m
C
l
eaned
up G
P
U emulation l
o
g
ic
commit
|
commitdiff
|
tree
2017-06-28
M
a
rk Ab
r
aha
m
C
leaned up hi
g
h-
l
e
vel
b
ool
e
an variable naming
commit
|
commitdiff
|
tree
2017-06-28
Mark Abra
h
a
m
Fix
specificatio
n
f
or gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Merge br
a
nch r
e
lease
-
2016
commit
|
commitdiff
|
tree
2017-06-27
Ma
r
k Abraham
Mi
n
or improveme
n
ts to test configs
commit
|
commitdiff
|
tree
2017-06-22
Ma
r
k
A
b
ra
h
a
m
Con
s
olidate
d
lo
g
i
c
f
or
c
hoosin
g
numbe
r
of thread
-
MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark A
b
rah
a
m
Replace misnamed
nbnxn
_
gpu_acce
l
eration_supported
commit
|
commitdiff
|
tree
2017-06-22
M
a
r
k
Abraham
Consolidate a
n
d fix l
o
gic for mdrun -
n
b a
n
d -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abrah
a
m
Reform
n
gpu
variable
commit
|
commitdiff
|
tree
2017-06-21
M
a
r
k Abr
a
ham
Remove
b
Use
r
SetGpuId
s
field
commit
|
commitdiff
|
tree
2017-06-14
Mark Abr
a
ham
Simplify reporting fr
o
m
i
nit_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark Ab
r
aham
Move gmx_parse_gpu_id out of
checking function
commit
|
commitdiff
|
tree
2017-05-31
Mark Abraham
New qu
o
te
commit
|
commitdiff
|
tree
2017-05-30
M
a
r
k
A
braham
Fix
N
VML error messa
g
e
s
commit
|
commitdiff
|
tree
2017-05-27
Mark
Abraham
Quotes from Go
t
tingen
w
orksho
p
commit
|
commitdiff
|
tree
2017-05-26
M
a
r
k Abraham
Test invsixthroot function as intended
commit
|
commitdiff
|
tree
2017-05-15
Mar
k
Abr
a
ham
Updated us
e
of
compiler spe
c
ifiers in testing
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated use of gc
c
-5
s
pecifie
r
s
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraha
m
Update clang st
a
ti
c
analyzer slav
e
to use version 4
commit
|
commitdiff
|
tree
2017-05-14
Ma
r
k
Abr
a
h
a
m
U
p
date clang-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abrah
a
m
Fix f
o
r
matting of MKL
cmake
docs
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Ab
r
aham
M
er
g
e branch releas
e
-2016
commit
|
commitdiff
|
tree
2017-05-09
Ma
r
k
A
braham
Cleaned up
memo
r
y usage in gmx traj a
n
d trjc
o
nv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clean
up
m
emory usage wit
h
oenv and
x
vg wri
t
ing
commit
|
commitdiff
|
tree
2017-04-17
M
ark Abraham
Mi
n
or
change to GPU compatibility
reporting ha
n
dling
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Propose
a
p
o
st
-
s
u
b
mit matrix
commit
|
commitdiff
|
tree
2017-04-03
Mar
k
Abra
h
am
Remove
do_pbc_fi
r
st
commit
|
commitdiff
|
tree
next