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Introduce type-safe GPU emulation variables
2017-09-07
Mark Abraham
Introduce type
-
sa
f
e GPU emulati
o
n variables
commit
|
commitdiff
|
tree
2017-09-06
M
a
r
k
Abra
h
a
m
Prepare Verlet scheme l
a
ter
i
n
r
unner
commit
|
commitdiff
|
tree
2017-09-05
Mark
A
brah
a
m
Fix
use of GPU
information for t
h
read-MPI setup
commit
|
commitdiff
|
tree
2017-08-23
Ma
r
k
Abraham
Stoppe
d
che
c
kp
o
int influencing paralleli
s
m
setu
p
commit
|
commitdiff
|
tree
2017-08-22
Mark
Abraham
Run GPU
d
etection eve
n
for
m
d
run -nb cpu
commit
|
commitdiff
|
tree
2017-08-22
Mar
k
Abraham
F
ixed th
r
ead-MPI wi
t
h non-defaul
t
-npme
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k Abrah
a
m
Fix missing declaration
o
f GMX_UNUSED_VALUE
commit
|
commitdiff
|
tree
2017-08-22
Ma
r
k Abraham
Merge branch release
-
2016
commit
|
commitdiff
|
tree
2017-08-21
Mark Abraham
Moved increase_n
s
tlist() to nbnxn_tuning
.
h
commit
|
commitdiff
|
tree
2017-08-21
Mark Abrah
a
m
F
i
x compil
a
tion i
s
s
u
es with ARM SIMD
commit
|
commitdiff
|
tree
2017-08-17
Mark Abraham
R
epla
c
e consistency
c
h
ec
k
i
ng w
i
th assertion
commit
|
commitdiff
|
tree
2017-08-16
Mark Abraha
m
Pa
r
se
use
r
-s
u
pp
l
ied GPU ta
s
k
a
ssignment only when needed
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraham
Remove duplicat
e
GPU non
-
usage hint
commit
|
commitdiff
|
tree
2017-08-16
M
a
r
k
Abraham
M
o
ved
l
o
gging functionality int
o
GPU
u
s
a
g
e
r
eport
commit
|
commitdiff
|
tree
2017-08-15
Mark A
b
ra
h
a
m
M
e
rge branch releas
e
-5-1 i
n
to release-2016
commit
|
commitdiff
|
tree
2017-08-15
Ma
r
k
A
b
r
a
ham
Fix va
l
ue o
f
E
wald shif
t
commit
|
commitdiff
|
tree
2017-08-10
Mark Abraham
Clarify data flow in GPU t
a
sk assignment
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraha
m
F
i
x
include
d
ep
e
nden
c
y for g
e
ten
v
commit
|
commitdiff
|
tree
2017-08-07
Mark Abraham
Si
m
plifie
d
hand
l
ing
of GPU devic
e
IDs
commit
|
commitdiff
|
tree
2017-08-06
M
a
rk Abr
a
h
am
Si
m
plify resource-division e
f
ficiency check
commit
|
commitdiff
|
tree
2017-08-06
M
ark Abraham
Split prin
t
hardware
f
r
om
d
etecthardware
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k Abr
a
ham
De
c
ouple task
a
ssignmen
t
f
rom task execution
commit
|
commitdiff
|
tree
2017-08-06
Mark Abrah
a
m
R
e
moved un
u
s
ed host-side allocation code
commit
|
commitdiff
|
tree
2017-08-04
Mark Abr
a
ham
St
o
p
using hwi
n
f
o
_g
f
or r
e
port
i
ng code
commit
|
commitdiff
|
tree
2017-08-03
Mar
k
Abrah
a
m
Re
m
o
ved unused include s
t
a
t
ements
commit
|
commitdiff
|
tree
2017-08-01
M
ark Ab
r
aham
Introduc
e
d Mdrunner high-leve
l
class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enhance
c
mak
e
a
n
d
r
eleng han
d
ling of GMX_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abr
a
ha
m
S
eparated respo
n
sibil
i
ty
f
o
r
c
onsi
s
tency checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Remove un
n
ecessary GPU checking code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Cleaned up bUs
e
G
pu in runn
e
r
commit
|
commitdiff
|
tree
2017-07-20
Mark
A
b
raham
Stop duplicate printing
o
f
detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Fix
u
s
e
o
f GMX_SIMD
in ow
n
-fftw
bu
i
ld
commit
|
commitdiff
|
tree
2017-07-19
M
ark Abraham
Made
p
ost-su
b
mit
c
onfig
t
o
te
s
t clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
M
a
rk Abrah
a
m
Improve CMake implementa
t
ion for GMX_SIMD
commit
|
commitdiff
|
tree
2017-07-18
Ma
r
k
Abraham
Converted some const pointers
into const references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
M
ark
A
braham
Elimina
t
ed
p
ick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-14
Mark Ab
r
a
ham
Im
p
lemented
gr
o
mpp -po for options-s
t
yle mdp handling
commit
|
commitdiff
|
tree
2017-07-14
M
a
rk Ab
r
ah
a
m
Clean u
p
cmake b
u
ild ho
s
t detection
commit
|
commitdiff
|
tree
2017-07-13
Mark Abra
h
a
m
C
lean up gm
x
_md
r
u
n
()
commit
|
commitdiff
|
tree
2017-07-13
Ma
r
k Abraham
Cleaned up mdr
u
nner_start_threa
d
s
commit
|
commitdiff
|
tree
2017-07-13
Mark Abr
a
ham
More update
s
t
o
testing m
a
trix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abra
h
am
Refactor error handling in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
M
ark Abraham
Simplify gmx_
g
pu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abr
a
h
a
m
Cle
a
n up
p
ick_
n
b
n
xn_resource
s
commit
|
commitdiff
|
tree
2017-07-01
Mark Abr
a
ham
Cleaned up GPU emulatio
n
logic
commit
|
commitdiff
|
tree
2017-06-28
Ma
r
k
A
braham
Cleaned
up high-level boole
a
n variable nam
i
ng
commit
|
commitdiff
|
tree
2017-06-28
Mark
A
brah
a
m
Fix
s
pecificati
o
n
f
o
r
g
c
c-6
commit
|
commitdiff
|
tree
2017-06-28
M
ar
k
A
b
ra
h
a
m
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Mino
r
improve
m
ents to test configs
commit
|
commitdiff
|
tree
2017-06-22
M
a
r
k Abraham
Consoli
d
ated
l
o
g
ic for choos
i
ng
n
umber of thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Replace
misnamed nb
n
xn_gpu_
a
ccel
e
ration_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidate an
d
fix logic for mdrun -nb and -gpu
i
d
commit
|
commitdiff
|
tree
2017-06-21
M
a
rk Abrah
a
m
R
e
form ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Re
m
o
ve bUserSetGpuId
s
f
ield
commit
|
commitdiff
|
tree
2017-06-14
M
a
rk Ab
r
aham
Simplify
r
eporting
f
r
om init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark Ab
r
aham
M
o
v
e gm
x
_
pa
r
se
_
gpu
_
i
d
o
u
t of c
h
eck
i
ng funct
i
on
commit
|
commitdiff
|
tree
2017-05-31
Mark A
b
raham
N
e
w q
u
ote
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
F
ix NVML error mes
s
ages
commit
|
commitdiff
|
tree
2017-05-27
Mar
k
A
braham
Quotes from Got
t
ingen workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraha
m
T
e
st invsixthroot function as
i
n
ten
d
ed
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated u
s
e of compiler
s
pecifiers in testin
g
commit
|
commitdiff
|
tree
2017-05-15
Ma
r
k Abra
h
a
m
Update
d
use of gcc-5 speci
f
i
e
rs
commit
|
commitdiff
|
tree
2017-05-15
Mark
Abraham
Update clang s
t
atic a
n
alyzer slave to use version
4
commit
|
commitdiff
|
tree
2017-05-14
Mark
A
b
r
aham
U
p
d
a
t
e cla
n
g-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abrah
a
m
Fix
f
ormattin
g
of MKL cm
a
ke
docs
commit
|
commitdiff
|
tree
2017-05-09
M
ark
A
braham
Mer
g
e bra
n
c
h
r
elea
s
e-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Cleaned up
m
e
m
ory usage in gmx traj and
t
rjc
o
nv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraha
m
C
lean
u
p
m
emory usage
w
ith oenv and
xvg wri
t
ing
commit
|
commitdiff
|
tree
2017-04-17
Mark A
b
raha
m
M
i
nor change to GPU compatibility reporting handling
commit
|
commitdiff
|
tree
2017-04-17
M
ark
A
braha
m
Propose
a
post-su
b
mit matrix
commit
|
commitdiff
|
tree
2017-04-03
Mark Abra
h
am
Re
m
ove do_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark
Abr
a
ham
Merge br
a
n
ch re
l
ease-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix param
e
ter descripti
o
n for dihedra
l
_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add
s
ection
t
o user guid
e
for ma
n
aging
s
imulation
s
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraha
m
Fix s
t
ring handling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k
A
braham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bumped vers
i
on to prepare
f
o
r n
e
xt patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraha
m
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark
Abraham
Modernize wr
i
te_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
Mo
d
e
rnize read_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abr
a
ham
T
e
sts f
o
r grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Mark Abraham
Refacto
r
GPU se
l
ect
i
on handling
commit
|
commitdiff
|
tree
2017-03-07
Mark Ab
r
aham
Fix
minor issues in gm
x
traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
M
a
rk Abraham
Fixes
for xl compilers 13
.
1
.
5 on Pow
e
r8
commit
|
commitdiff
|
tree
2017-02-20
M
a
rk Abr
a
ha
m
Add tests for ol
d
gmx energy
functionality
commit
|
commitdiff
|
tree
2017-02-17
M
ark Ab
r
aham
Use gm
x
::Mute
x
and gmx::lock_g
u
ar
d
to fix so
m
e issues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abrah
a
m
Merg
e
branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abra
h
am
Fi
x
h
a
n
d
ling
o
f
p
r
evious v
i
ria
l
s
commit
|
commitdiff
|
tree
2017-02-14
Mark
Abraham
Reduce compilati
o
n
coupl
i
ng
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Corre
c
ted outp
u
t of
gmx do_dssp -sc
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k
Abr
a
ham
Co
m
pl
e
te the
r
emoval
o
f
s
t
ateful RNG
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk Abraha
m
Imp
r
o
ved state
_
chan
g
e_
n
atoms
a
nd us
e
d i
t
more
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk Abraham
Rem
o
v
e EST_DISTR fr
o
m st
a
te
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
En
h
ance warninp
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abraham
Extend serializati
o
n to g
m
x_int
6
4
_
t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abr
a
ham
Remove d
o
cs f
o
r
u
nim
p
le
m
en
t
ed trjconv -cluster
c
enter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abr
a
ham
Create applied-forces module group
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abraham
Give MDModules
r
espons
i
bili
t
y
f
or
option handl
i
ng
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Merge
bra
n
c
h
release-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
B
u
mp
e
d version to p
r
epa
r
e for next
p
atc
h
releas
e
commit
|
commitdiff
|
tree
next