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Remove duplicate GPU non-usage hint
2017-08-16
Mark Abraham
Rem
o
v
e duplicate GP
U
non-usage hint
commit
|
commitdiff
|
tree
2017-08-16
Mark
Abraham
Moved
logging f
u
n
c
tionality
i
nto GPU usage
r
eport
commit
|
commitdiff
|
tree
2017-08-10
Mark
A
br
a
h
a
m
Clarify data
flow
i
n GPU task as
s
ignme
n
t
commit
|
commitdiff
|
tree
2017-08-07
M
a
rk A
b
raham
Fix inclu
d
e depe
n
den
c
y for getenv
commit
|
commitdiff
|
tree
2017-08-07
Mar
k
Abraham
Si
m
p
l
i
fied handling of GPU devi
c
e IDs
commit
|
commitdiff
|
tree
2017-08-06
Ma
r
k Abraham
S
i
mplify
resource-division ef
f
i
ciency che
c
k
commit
|
commitdiff
|
tree
2017-08-06
Mark Ab
r
aham
Split printhardware fr
o
m
d
ete
c
tha
r
dware
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Decouple task as
s
i
g
n
m
e
n
t
from task execution
commit
|
commitdiff
|
tree
2017-08-04
Mark
Abraham
Stop using hw
i
nfo_g
f
or r
e
porting code
commit
|
commitdiff
|
tree
2017-08-03
Mar
k
Abraha
m
Rem
o
ved unused include statements
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraham
Introduce
d
Mdrunner
hi
g
h-lev
e
l c
l
a
s
s
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
E
n
hance cmake and releng handling of
G
M
X
_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark
A
b
raham
Se
p
ar
a
t
e
d r
e
sponsibili
t
y
for consistency
c
h
e
ckin
g
commit
|
commitdiff
|
tree
2017-07-24
Mark
Ab
r
aham
R
em
o
ve unnecess
a
ry G
P
U c
h
e
c
king code
commit
|
commitdiff
|
tree
2017-07-20
Mark Ab
r
aham
Cle
a
ned up bUseGp
u
in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Ab
r
aha
m
S
t
op duplic
a
te pri
n
t
ing
of dete
c
ted GPU
s
commit
|
commitdiff
|
tree
2017-07-20
Mark Abrah
a
m
Fix
u
se of GMX
_
SI
M
D in own-
f
f
t
w build
commit
|
commitdiff
|
tree
2017-07-19
Mark A
b
raham
M
ade post
-
submi
t
config to test clang+openm
p
.
commit
|
commitdiff
|
tree
2017-07-19
Ma
r
k Abra
h
am
Improve
C
Ma
k
e
implementat
i
on for GMX_S
I
MD
commit
|
commitdiff
|
tree
2017-07-18
Mar
k
Abraham
Conve
r
ted some const
pointers
i
nto cons
t
referenc
e
s
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mar
k
Abraham
Eliminated pick_nbnxn_r
e
s
o
urces
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Implemente
d
grompp -p
o
f
o
r
options-style mdp
handli
n
g
commit
|
commitdiff
|
tree
2017-07-14
M
ar
k
Abrah
a
m
Clean up cmake build
host detectio
n
commit
|
commitdiff
|
tree
2017-07-13
Mark
A
braha
m
Clea
n
up gmx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark A
b
rah
a
m
Cleaned up
m
drunner_start_threads
commit
|
commitdiff
|
tree
2017-07-13
Mark A
b
raham
More updates to
t
est
i
ng matrix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
Refactor erro
r
han
d
ling
i
n i
n
it_g
p
u
commit
|
commitdiff
|
tree
2017-07-06
Mark Ab
r
aham
Simplify gmx_gpu
_
opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraha
m
Clean up pick
_
nbnxn_r
e
sources
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
Cleaned
up GP
U
e
mulation
l
o
gic
commit
|
commitdiff
|
tree
2017-06-28
M
a
rk Abraham
C
l
eaned u
p
hi
g
h-level b
o
olean var
i
a
b
le na
m
ing
commit
|
commitdiff
|
tree
2017-06-28
M
ark Abraha
m
Merge bran
c
h r
e
lease
-
2016
commit
|
commitdiff
|
tree
2017-06-27
Mark A
b
raham
M
inor imp
r
ovements to test configs
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidated logic
f
or choos
i
n
g number of thread
-
M
PI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Replace misnamed nbnxn_g
p
u_acceleration_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark
Abraham
Consolidate and fix logi
c
for mdrun
-nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Reform ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
M
ark Abraham
R
e
mov
e
bUser
S
etGpu
I
d
s
f
ield
commit
|
commitdiff
|
tree
2017-06-14
M
ark Abraham
Simplify reporting from init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark Abra
h
a
m
Move gmx_parse_gpu_id out
o
f c
h
ecking
f
u
nction
commit
|
commitdiff
|
tree
2017-05-31
M
a
r
k Abraham
N
e
w quote
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
Fix NVML error mes
s
ag
e
s
commit
|
commitdiff
|
tree
2017-05-27
M
ark Abraham
Quo
t
es from Gottin
g
e
n
workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark
A
b
r
aham
T
est inv
s
ixt
h
root fu
n
c
t
ion
as
i
ntended
commit
|
commitdiff
|
tree
2017-05-15
Mark
Abrah
a
m
U
p
dated us
e
of compiler specifiers in tes
t
ing
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
raham
U
p
dated use of
g
cc-5 sp
e
cifiers
commit
|
commitdiff
|
tree
2017-05-15
Mar
k
Abra
h
am
Update clang static analyz
e
r slave to use version 4
commit
|
commitdiff
|
tree
2017-05-14
M
ark Ab
r
a
h
am
Update clang-4
commit
|
commitdiff
|
tree
2017-05-09
Ma
r
k
Abraham
Fi
x
formatting of MKL cmake do
c
s
commit
|
commitdiff
|
tree
2017-05-09
Mark Abr
a
h
a
m
Mer
g
e br
a
nch re
l
e
ase-2016
commit
|
commitdiff
|
tree
2017-05-09
Ma
r
k Abraham
Cl
e
a
n
ed up memor
y
u
s
age
i
n
g
mx
t
raj and trjc
o
nv
commit
|
commitdiff
|
tree
2017-04-22
Mar
k
Abra
h
am
Clea
n
up memory usa
g
e with o
e
nv and xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Ma
r
k Abraham
Minor change
t
o
G
P
U
compatibility reporting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark Abrah
a
m
Pro
p
ose a post-
s
ubmi
t
matri
x
commit
|
commitdiff
|
tree
2017-04-03
Mark
A
braham
Remove do_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Ma
r
k Abraham
Merge
b
r
anch release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix parame
t
e
r descripti
o
n for dihedr
a
l_
r
estra
i
nts
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add
s
e
c
t
ion to use
r
guide fo
r
m
a
naging
s
im
u
lations
commit
|
commitdiff
|
tree
2017-03-19
M
ark A
b
raham
Fix
s
tring handling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Merge branch releas
e
-2016
commit
|
commitdiff
|
tree
2017-03-14
M
a
rk Abr
a
ham
Bumpe
d
vers
i
on to prepar
e
for next pa
t
ch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abra
h
am
Ver
s
i
o
n 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraha
m
Mo
d
ernize writ
e
_i
n
pf
i
le
commit
|
commitdiff
|
tree
2017-03-13
M
a
r
k Abraham
Modernize
read
_
i
npf
i
le
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
T
e
sts for grompp -f
-
po
commit
|
commitdiff
|
tree
2017-03-09
Mark
A
b
raham
R
e
fac
t
or GPU
sele
c
t
ion
hand
l
i
ng
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
F
i
x
m
i
n
o
r issues
i
n gmx traj -av
-
af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abraham
Fixes for xl compilers 13
.
1
.
5
o
n
Po
w
er8
commit
|
commitdiff
|
tree
2017-02-20
Ma
r
k Abraham
A
d
d tests for old gmx ene
r
gy functional
i
ty
commit
|
commitdiff
|
tree
2017-02-17
Ma
r
k Abraham
Us
e
gmx::M
u
tex and gmx::lock_guard to
fix som
e
i
ssues
commit
|
commitdiff
|
tree
2017-02-15
Mark
A
braham
Merge branch release
-
5
-
1 into releas
e
-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Fix handling of previous vir
i
als
commit
|
commitdiff
|
tree
2017-02-14
Mark Ab
r
a
ham
Reduce compi
l
at
i
on coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abra
h
am
C
orre
c
ted outp
u
t of gmx
d
o
_dssp -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abr
a
ham
Comple
t
e the remov
a
l of stateful RNG
commit
|
commitdiff
|
tree
2017-02-09
M
ark Abra
h
am
Improved
state_ch
a
n
ge_natom
s
and used it mo
r
e
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk Abr
a
ham
R
emove ES
T
_DIST
R
from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark
Abraham
Enhanc
e
warninp
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k Abraha
m
Extend seri
a
l
i
z
a
tion to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
M
a
r
k A
b
raham
Remove docs for unimp
l
em
e
nted
t
rjconv -
c
lustercenter
commit
|
commitdiff
|
tree
2017-02-08
Mark
A
b
raham
Cr
e
ate applied-for
c
es
m
o
d
ule group
commit
|
commitdiff
|
tree
2017-02-08
Mark Ab
r
aham
Giv
e
MD
M
odules re
s
ponsi
b
ility for option han
d
ling
commit
|
commitdiff
|
tree
2017-02-07
Mark A
b
raham
Merge
b
ra
n
ch release
-
20
1
6
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aham
Bumped versi
o
n to prepare for next patch release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
I
n
tr
o
duc
e
d
s
y
st
e
m
preparation section to
user guide
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
V
ers
i
on 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Me
r
ge branch re
l
ease-5-1 i
n
t
o
rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abraha
m
Rem
o
ve typedef
s
t
ruct i
n
som
e
m
d
types files
commit
|
commitdiff
|
tree
2017-02-02
Mark
Abraham
Clar
i
f
y
use of tau-p an
d
pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abr
a
ham
Merge branch release-5-1 into r
e
lease-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix multi-domain
reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abra
h
am
Don't
p
rint
invalid performanc
e
data
commit
|
commitdiff
|
tree
2017-01-23
M
ark Abraham
S
topped hea
d
er files
i
n
c
lu
d
i
n
g
s
tate
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed g
m
x rmsf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark A
b
r
a
ham
Removed init_
s
tate
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraham
Initialize GMX_
*
_LIBRAR
I
ES cmake v
a
riables earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abrah
a
m
Me
r
ge branch release-2016
commit
|
commitdiff
|
tree
2017-01-06
Mark Abra
h
am
D
o
c
u
ment ISeria
l
i
z
e
r class
commit
|
commitdiff
|
tree
2017-01-04
M
ar
k
Abraham
Stop trying to use objdump --reloc on Ma
c
commit
|
commitdiff
|
tree
2017-01-04
Mark Abr
a
ham
F
i
x
d
ocumen
t
ation of
O
ptionsVi
s
i
t
o
r
commit
|
commitdiff
|
tree
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