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Introduce type-safe GPU emulation variables
2017-09-07
Mark Abra
h
am
I
n
trodu
c
e type-safe GP
U
emulati
o
n v
a
riables
commit
|
commitdiff
|
tree
2017-09-06
Ma
r
k
A
b
r
aham
P
repare
V
er
l
et scheme later in runn
e
r
commit
|
commitdiff
|
tree
2017-09-05
M
a
rk Abrah
a
m
Fix use of GPU information for thread-MPI setu
p
commit
|
commitdiff
|
tree
2017-08-23
Mark Abrah
a
m
Stopped checkp
o
i
n
t infl
u
encing
paral
l
elism setup
commit
|
commitdiff
|
tree
2017-08-22
Mark Abra
h
am
Run GPU detection even fo
r
mdrun -nb cp
u
commit
|
commitdiff
|
tree
2017-08-22
Mark Ab
r
aham
F
i
xed thread-M
P
I wi
t
h non-def
a
ult -npme
commit
|
commitdiff
|
tree
2017-08-22
Mark Abra
h
a
m
F
i
x missing declaration
of
G
MX_
U
NU
S
ED_
V
ALUE
commit
|
commitdiff
|
tree
2017-08-22
M
a
r
k
A
br
a
h
a
m
M
e
r
g
e
br
a
nc
h
release-20
1
6
commit
|
commitdiff
|
tree
2017-08-21
Mar
k
Abraham
Moved increase_nstlist() to
nbnxn_t
u
ning
.
h
commit
|
commitdiff
|
tree
2017-08-21
M
a
rk
A
braham
Fix
compila
t
ion issues w
i
th AR
M
SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abr
a
h
a
m
Replace consistency chec
k
i
ng with asser
t
ion
commit
|
commitdiff
|
tree
2017-08-16
Mark Abr
a
h
am
P
a
rse user-supplied GPU task ass
i
gnment only when needed
commit
|
commitdiff
|
tree
2017-08-16
M
a
rk Abraham
Rem
o
ve duplicate GPU non-usage hint
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraham
Moved logging functio
n
alit
y
i
nto GPU usage repo
r
t
commit
|
commitdiff
|
tree
2017-08-15
Mark Abraham
Merge branch release-
5
-
1
i
n
t
o
releas
e
-2016
commit
|
commitdiff
|
tree
2017-08-15
Mark
A
braha
m
Fix v
a
lue of Ewald shift
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
Clarify
data f
l
ow in GP
U
task assignm
e
n
t
commit
|
commitdiff
|
tree
2017-08-07
Mark
Abraha
m
Fix include dependency for getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark
Abraham
Simp
l
if
i
ed h
a
ndlin
g
of GPU device IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abraham
Simp
l
ify
r
esource-division efficiency
c
h
e
ck
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Spli
t
prin
t
hardwa
r
e from d
e
tecthardwa
r
e
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
raham
Decouple task ass
i
g
nm
e
nt f
r
om task executio
n
commit
|
commitdiff
|
tree
2017-08-06
M
ark Abraha
m
Removed unused hos
t
-side allocation code
commit
|
commitdiff
|
tree
2017-08-04
Mark Ab
r
aham
Stop
using hwinfo_g
for
reporting code
commit
|
commitdiff
|
tree
2017-08-03
M
a
rk Abraha
m
Rem
o
v
ed unuse
d
i
nclud
e
statements
commit
|
commitdiff
|
tree
2017-08-01
M
a
rk Abraha
m
Intr
o
duced Mdr
u
nner
high-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abrah
a
m
Enha
n
ce cmake and releng handling o
f
GMX_
U
SE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Ab
r
aha
m
Sepa
r
ate
d
res
p
onsibility for con
s
istency
c
h
e
cking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Remove unnece
s
s
a
ry
GPU checking code
commit
|
commitdiff
|
tree
2017-07-20
Mark Ab
r
aha
m
Cleaned u
p
b
U
seGpu in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Stop du
p
licate
p
rintin
g
of
d
etected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Fix
use o
f
GMX_SIMD in
own
-
fftw build
commit
|
commitdiff
|
tree
2017-07-19
Ma
r
k Abraham
M
a
d
e post
-
sub
m
it
co
n
fig to test clang+openm
p
.
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Im
p
rov
e
C
M
ake implementation for GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
M
ark Abraham
Convert
e
d some
c
o
n
st pointers into c
o
nst references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Ab
r
aham
Elimi
n
ated pick_nbnxn_
r
esources
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
I
mplemented grompp -po for options-style
m
d
p
handling
commit
|
commitdiff
|
tree
2017-07-14
Mark
Abraha
m
C
l
e
a
n up cmake build h
o
s
t
detection
commit
|
commitdiff
|
tree
2017-07-13
Mar
k
Abraham
Clea
n
u
p
g
mx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
M
ark Ab
r
aham
Clea
n
e
d
u
p
md
r
unner_
s
tart_threads
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
More updates to
testing matrix
commit
|
commitdiff
|
tree
2017-07-07
Ma
r
k Abraham
Refac
t
or err
o
r handling in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark
A
braham
Sim
p
lif
y
gmx_gpu_o
p
t_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Cle
a
n up pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraha
m
Clean
e
d
u
p
GPU emulation logic
commit
|
commitdiff
|
tree
2017-06-28
Ma
r
k
Abraham
Cl
e
aned up high-level boolean var
i
a
b
le nam
i
ng
commit
|
commitdiff
|
tree
2017-06-28
Mark Abrah
a
m
Fix specification for gcc-6
commit
|
commitdiff
|
tree
2017-06-28
Mark
A
braham
Merge bran
c
h
release-2016
commit
|
commitdiff
|
tree
2017-06-27
M
a
r
k A
b
raham
Minor improv
e
m
en
t
s
to
test conf
i
gs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abrah
a
m
Co
n
solid
a
te
d
logic
f
or cho
o
sin
g
n
u
mber
o
f thread-M
P
I
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk A
b
raha
m
R
eplace misnamed nbnxn
_
gpu_ac
c
eleration_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidate a
n
d fix
l
og
i
c for mdrun -
n
b and -
g
puid
commit
|
commitdiff
|
tree
2017-06-21
M
ark Abraha
m
Reform ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Ma
r
k Abr
a
ham
Rem
o
ve bUserSetGpuI
d
s field
commit
|
commitdiff
|
tree
2017-06-14
Ma
r
k Abraham
S
i
mplify reporting from init_gpu
commit
|
commitdiff
|
tree
2017-06-12
M
a
r
k Abraham
Move gmx_p
a
rse_gpu_
i
d out
o
f
che
c
k
i
ng function
commit
|
commitdiff
|
tree
2017-05-31
Mark Abraham
New q
u
ote
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
Fix
NVML error mess
a
ges
commit
|
commitdiff
|
tree
2017-05-27
Mark
Ab
r
a
h
am
Quotes from
Gottingen
workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abr
a
h
a
m
Test invs
i
xthroot
f
u
nctio
n
as intend
e
d
commit
|
commitdiff
|
tree
2017-05-15
Mar
k
A
b
raham
Update
d
use of
c
ompiler specifiers in
t
esting
commit
|
commitdiff
|
tree
2017-05-15
M
ark Ab
r
a
h
a
m
Updated use of gcc-5 specifier
s
commit
|
commitdiff
|
tree
2017-05-15
M
ark Abrah
a
m
U
pdate
c
lang
static analyzer sla
v
e to use v
e
rsion
4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abr
a
ham
Update clan
g
-4
commit
|
commitdiff
|
tree
2017-05-09
Mark
Abraham
Fix formatt
i
ng of M
K
L cmake
d
o
c
s
commit
|
commitdiff
|
tree
2017-05-09
Mark Abra
h
am
Merge bra
n
ch release-
2
016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Cle
a
n
ed up me
m
ory
usage in gmx
t
raj and trjco
n
v
commit
|
commitdiff
|
tree
2017-04-22
M
a
r
k
Abraham
Clean up memory usage with oenv
a
n
d xvg w
r
iting
commit
|
commitdiff
|
tree
2017-04-17
Mark Ab
r
aham
Minor c
h
ange to GPU
c
ompatibility r
e
porting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark
Abraham
Pro
p
ose a post-
s
ubmit mat
r
ix
commit
|
commitdiff
|
tree
2017-04-03
Mark Abraham
Remov
e
d
o_pbc
_
first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abraham
Mer
g
e branch release
-
201
6
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraha
m
Fix parameter descrip
t
ion for dihedral_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark Ab
r
aham
Ad
d
section to user guid
e
for managi
n
g
s
imu
l
a
t
ion
s
commit
|
commitdiff
|
tree
2017-03-19
M
a
rk Abraham
Fix string han
d
ling for
g
c
c
7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abra
h
am
Merg
e
branch
r
elease-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark
A
braha
m
Bum
p
e
d version to pr
e
pare fo
r
n
e
xt patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
M
ark Ab
r
aham
Modernize
w
rite_inpfile
commit
|
commitdiff
|
tree
2017-03-13
M
a
rk Abraham
Mo
d
er
n
ize
r
ead_
i
npfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Tests for gr
o
mpp -f
-po
commit
|
commitdiff
|
tree
2017-03-09
Mark Abr
a
ham
R
e
f
actor GPU se
l
ection
h
andling
commit
|
commitdiff
|
tree
2017-03-07
Mark Ab
r
aham
Fix minor issu
e
s
in gmx traj -
a
v -af
commit
|
commitdiff
|
tree
2017-03-04
M
ark Abraham
Fixe
s
for xl com
p
ilers 13
.
1
.
5
on Pow
e
r8
commit
|
commitdiff
|
tree
2017-02-20
M
ark Ab
r
aham
Add tests for ol
d
g
m
x energy
fu
n
ctional
i
ty
commit
|
commitdiff
|
tree
2017-02-17
Mark Ab
r
ah
a
m
Use gmx::Mutex and gmx::loc
k
_guard to
f
i
x
some issues
commit
|
commitdiff
|
tree
2017-02-15
M
ark
Abr
a
ham
M
erge branch release-5-1
i
nto rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Ab
r
aham
Fix
handl
i
n
g of previous virials
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
r
aham
Reduce comp
i
la
t
ion coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark
Abraham
Correc
t
ed out
p
ut
o
f gmx do_d
s
sp -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abra
h
am
Compl
e
t
e
th
e
removal of statef
u
l RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Ab
r
aham
Im
p
roved s
t
ate_change_natoms and u
s
ed it more
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
A
b
raha
m
Remove EST_DIS
T
R from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
E
n
hanc
e
w
arninp
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abraha
m
Extend serialization to gmx_in
t
64_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
a
m
Remove d
o
cs for unim
p
lemented trjconv -cl
u
sterce
n
ter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
C
r
ea
t
e applied-f
o
rces module group
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
G
iv
e
MDModules r
e
spon
s
ibility for opti
o
n han
d
ling
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Merg
e
bran
c
h
r
elease-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Bump
e
d version to prepare
f
o
r next patch rele
a
se
commit
|
commitdiff
|
tree
next