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Continue removing -nb gpu_cpu
2017-10-05
M
ark Abr
a
ham
Continu
e
removing
-
nb gpu_cpu
commit
|
commitdiff
|
tree
2017-10-04
Ma
r
k
A
braham
Ena
b
le
g
roup-s
c
h
e
me
SIMD with GMX
_
SIMD
=
AVX2_128
commit
|
commitdiff
|
tree
2017-10-03
Mark
A
b
r
aham
I
nt
r
oduce and use Align
e
dA
l
locationPolicy
commit
|
commitdiff
|
tree
2017-09-19
Mar
k
Abraham
Update
t
esti
n
g matrices to test with (lat
e
st) icc-18
commit
|
commitdiff
|
tree
2017-09-17
Mar
k
Abraham
Merge branch
r
elea
s
e-2016
commit
|
commitdiff
|
tree
2017-09-15
Mark A
b
raham
Express intent of matri
x
r
elease build typ
e
s expl
i
ci
t
ly
commit
|
commitdiff
|
tree
2017-09-15
Mark Ab
r
aham
B
u
m
ped
patch v
e
rsion for nex
t
releas
e
commit
|
commitdiff
|
tree
2017-09-15
M
ark
A
braham
Ve
r
sion 2
0
16
.
4
commit
|
commitdiff
|
tree
2017-09-14
Mark Abraham
F
o
rm ta
s
kassignment module
commit
|
commitdiff
|
tree
2017-09-14
Ma
r
k Abraham
Fix compat module de
f
inition
commit
|
commitdiff
|
tree
2017-09-12
Mark Abraham
Merge b
r
anch r
e
lease-
2
016
commit
|
commitdiff
|
tree
2017-09-07
Mark A
b
r
ah
a
m
Introduce type-safe GPU emul
a
tion variables
commit
|
commitdiff
|
tree
2017-09-07
Mark Abraham
E
n
able group
-
scheme
SIMD ker
n
els on
r
e
ce
n
t
A
VX extensions
commit
|
commitdiff
|
tree
2017-09-06
M
a
rk
A
b
r
aham
Prepar
e
Verl
e
t sch
e
me later in runner
commit
|
commitdiff
|
tree
2017-09-05
M
ar
k
Ab
r
ah
a
m
Fixe
s
for Solaris
commit
|
commitdiff
|
tree
2017-09-05
Mark Abraha
m
Fix
use o
f
GPU infor
m
a
t
i
o
n for thread-MPI se
t
up
commit
|
commitdiff
|
tree
2017-09-03
Mar
k
Abraham
Fix compiler fl
a
gs for usi
n
g MKL
commit
|
commitdiff
|
tree
2017-09-03
Mark Abraham
M
e
r
g
e
b
ranch rele
a
se-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-08-25
Mark Abrah
a
m
Fix flat-b
o
ttom
e
d
position restraints wit
h
multiple
.
.
.
commit
|
commitdiff
|
tree
2017-08-23
Ma
r
k
Abraham
Stopped ch
e
c
kpoint influenc
i
ng pa
r
a
l
lelism se
t
up
commit
|
commitdiff
|
tree
2017-08-22
M
ark Abra
h
a
m
Run GPU detection even for mdrun -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraha
m
Fixed thre
a
d-MPI with non-default -npme
commit
|
commitdiff
|
tree
2017-08-22
M
a
r
k Abraha
m
Fix mi
s
sing declar
a
tion of
G
MX_UN
U
SED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Mark Abraham
Merge branch rel
e
as
e
-2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Ab
r
aham
Moved increase_nstlist() to
nbnxn_t
u
ning
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
ark Abraham
Fix compilatio
n
issu
e
s
with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Ma
r
k
Abraham
Replace consis
t
en
c
y ch
e
cking
with
a
s
sertio
n
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Parse user-sup
p
lied GPU ta
s
k
assignme
n
t
on
l
y when needed
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Remove duplicate GPU non-usag
e
hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Moved l
o
g
ging functionality into GPU usage
r
epo
r
t
commit
|
commitdiff
|
tree
2017-08-15
M
a
rk A
b
r
a
ham
Me
r
g
e
b
ranch
r
elease-5
-
1 in
t
o
r
elease
-
2016
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Fix va
l
ue of Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
M
ark Abra
h
am
Clarify
d
ata flo
w
in GPU task assignment
commit
|
commitdiff
|
tree
2017-08-07
Mark A
b
raham
Fix include d
e
pende
n
cy for getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark Abrah
a
m
Simplified handling of GP
U
devi
c
e IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Simp
l
if
y
resource-
d
i
vision efficiency check
commit
|
commitdiff
|
tree
2017-08-06
M
ar
k
Abraha
m
Sp
l
it p
r
inthardware from detecthardwar
e
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decouple task assignment fr
o
m task executio
n
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Removed u
n
used h
o
st-side allocation
c
ode
commit
|
commitdiff
|
tree
2017-08-04
M
a
rk Ab
r
aham
Stop using hwin
f
o_g for reporting code
commit
|
commitdiff
|
tree
2017-08-03
Mark Abraham
Removed u
n
used
i
nclude st
a
teme
n
ts
commit
|
commitdiff
|
tree
2017-08-01
M
a
r
k Ab
r
a
h
am
Introduced Mdrunner high-le
v
el class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
E
n
hance cmake
and releng
handling
of
G
M
X_US
E
_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark
Abraham
Se
p
a
rated
responsibil
i
ty fo
r
c
o
nsistency checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abr
a
h
a
m
Remove u
n
necessa
r
y
GPU che
c
king
cod
e
commit
|
commitdiff
|
tree
2017-07-20
Ma
r
k Abraham
C
l
eane
d
up
b
Use
G
pu in runn
e
r
commit
|
commitdiff
|
tree
2017-07-20
M
ark Abrah
a
m
Stop du
p
li
c
ate
printing of
d
etected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Ab
r
ah
a
m
Fix use of GMX_SIMD in own-fftw
build
commit
|
commitdiff
|
tree
2017-07-19
Mark Ab
r
a
h
am
Made post-submit co
n
fig to
t
e
st clang+open
m
p
.
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraha
m
Improv
e
CMake i
m
plementatio
n
for GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
Converted some const pointers into const
r
eferenc
e
s
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
M
a
rk
Abraham
Elimina
t
ed
pick_nb
n
xn_re
s
o
urces
commit
|
commitdiff
|
tree
2017-07-14
Mark Abr
a
ham
Implement
e
d
grompp
-
po f
o
r op
t
ions-style mdp handling
commit
|
commitdiff
|
tree
2017-07-14
M
a
r
k
Abraham
Cle
a
n up cmake build hos
t
detection
commit
|
commitdiff
|
tree
2017-07-13
Mark Abra
h
am
Clean
up gmx
_
mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abra
h
am
C
l
eaned up mdrunn
e
r
_star
t
_threa
d
s
commit
|
commitdiff
|
tree
2017-07-13
M
a
rk Abraham
More upd
a
te
s
to testing m
a
trix
commit
|
commitdiff
|
tree
2017-07-07
M
ark Abraha
m
Refactor error handling in i
n
it_g
p
u
commit
|
commitdiff
|
tree
2017-07-06
Mark Abraham
Sim
p
li
f
y
gmx_
g
pu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark
A
br
a
ham
Clea
n
up
p
i
c
k_nbnxn
_
resource
s
commit
|
commitdiff
|
tree
2017-07-01
Mar
k
Abrah
a
m
C
leaned u
p
G
P
U emulation log
i
c
commit
|
commitdiff
|
tree
2017-06-28
Mark Ab
r
aha
m
Cle
a
ned
u
p high-level
b
oolean variable
n
aming
commit
|
commitdiff
|
tree
2017-06-28
Mark Abr
a
ham
Fix s
p
ecificatio
n
for gc
c
-6
commit
|
commitdiff
|
tree
2017-06-28
Mark Abrah
a
m
Me
r
ge branch
release-201
6
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor i
m
provements
to tes
t
confi
g
s
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
C
onsolidated logic for cho
o
sing number
o
f thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Ab
r
aham
Replace
misnamed nbnxn_
g
pu_acceler
a
tio
n
_suppo
r
ted
commit
|
commitdiff
|
tree
2017-06-22
Mark A
b
raham
Consolidate and fi
x
logic for mdrun -nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Ref
o
rm ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Remov
e
bUser
S
etGpuIds field
commit
|
commitdiff
|
tree
2017-06-14
M
a
rk Abraham
S
implify reporting from i
n
it_
g
pu
commit
|
commitdiff
|
tree
2017-06-12
M
ar
k
Abraha
m
Mo
v
e gmx_
p
arse_gpu_id out
of c
h
ecking funct
i
o
n
commit
|
commitdiff
|
tree
2017-05-31
M
a
rk Abraha
m
New quote
commit
|
commitdiff
|
tree
2017-05-30
Mark
Abraham
Fix NVML error message
s
commit
|
commitdiff
|
tree
2017-05-27
Mark
Abraham
Quotes
f
r
o
m
Got
t
i
n
g
en wo
r
kshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraha
m
Test
i
nvsixthroot function
a
s
int
e
n
d
ed
commit
|
commitdiff
|
tree
2017-05-15
Mark Abrah
a
m
U
pdated use of compiler sp
e
ci
f
iers in
t
e
sting
commit
|
commitdiff
|
tree
2017-05-15
Ma
r
k Abrah
a
m
Updated
u
se of g
c
c-
5
specifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
r
aham
Update cla
n
g
s
tatic
analyzer slave
t
o
use
v
ersio
n
4
commit
|
commitdiff
|
tree
2017-05-14
Mark A
b
raham
Update clang-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abrah
a
m
Fix for
m
a
t
ti
n
g
of MKL cm
a
k
e
docs
commit
|
commitdiff
|
tree
2017-05-09
Ma
r
k A
b
raha
m
M
e
r
ge branch release-20
1
6
commit
|
commitdiff
|
tree
2017-05-09
Mar
k
Abraham
C
leaned up
m
emory usage in gmx traj
and trjcon
v
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clea
n
up memory
usage with oenv and xvg writ
i
ng
commit
|
commitdiff
|
tree
2017-04-17
Mark A
b
raham
Min
o
r change to GPU
com
p
atibility rep
o
rting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Propose a p
o
st-
s
u
b
m
it matri
x
commit
|
commitdiff
|
tree
2017-04-03
M
ark Abrah
a
m
R
e
mov
e
do_pb
c
_f
i
rst
commit
|
commitdiff
|
tree
2017-03-31
Mark Abrah
a
m
Me
r
g
e
br
a
nch release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark A
b
raham
F
i
x pa
r
amet
e
r description for dihe
d
r
a
l_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abra
h
a
m
A
dd section to
user guid
e
for manag
i
n
g
simu
l
ations
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraha
m
Fix s
t
rin
g
han
d
ling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Merge b
r
a
n
ch release-20
1
6
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k Abrah
a
m
Bumped
v
ersion to prepar
e
for next patch rele
a
se
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Ver
s
ion
2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark
Abraham
Mod
e
r
n
ize write_inp
f
i
le
commit
|
commitdiff
|
tree
2017-03-13
M
a
rk Abraham
Mod
e
rnize read_i
n
p
f
i
le
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k Abraham
Tes
t
s f
o
r grompp -
f
-
p
o
commit
|
commitdiff
|
tree
2017-03-09
Mark A
b
r
aha
m
R
efactor GPU sele
c
t
ion
h
andling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abra
h
am
F
ix min
o
r issues in gmx t
r
aj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraha
m
Fixes for xl comp
i
l
e
r
s
13
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
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