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Simplified handling of GPU device IDs
2017-08-07
Mark Abrah
a
m
Simplified handling o
f
G
P
U d
e
vice IDs
commit
|
commitdiff
|
tree
2017-08-06
M
ark Abraham
Simplify
r
e
sourc
e
-di
v
isio
n
e
f
f
iciency che
c
k
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
S
p
lit printhardware from detecth
a
rdware
commit
|
commitdiff
|
tree
2017-08-06
Mark
A
b
r
aham
Decouple
t
a
s
k
a
ssignm
e
n
t from task ex
e
cution
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraham
Stop usin
g
hwinfo_
g
for
r
eporting
c
ode
commit
|
commitdiff
|
tree
2017-08-03
Mark Abra
h
am
Removed u
n
used incl
u
d
e statements
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraham
Introduc
e
d Mdrun
n
er
high-level cl
a
ss
commit
|
commitdiff
|
tree
2017-07-27
Mark Abrah
a
m
E
n
ha
n
ce cm
a
ke and
r
e
l
eng han
d
l
ing
o
f GMX_US
E
_
RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Separated responsib
i
li
t
y
for consi
s
tenc
y
check
i
ng
commit
|
commitdiff
|
tree
2017-07-24
Mark Abr
a
ham
Remo
v
e unnecessar
y
GPU checkin
g
code
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraha
m
Cleaned up bUseGpu in runner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Sto
p
duplic
a
te
p
rintin
g
of detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
M
ark A
b
raham
Fix use of GMX_SIMD in o
w
n-fftw build
commit
|
commitdiff
|
tree
2017-07-19
Mark Ab
r
aham
Made post-su
b
m
it
c
onfig to test clang+
o
penmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Improve CM
a
ke implementation for GMX
_
S
I
MD
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
C
o
nverted some const
p
o
inters into const r
e
ferences
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Mark Abraham
E
l
iminated pick_
n
bnxn_resour
c
es
commit
|
commitdiff
|
tree
2017-07-14
Mark
A
b
r
aham
Implemented grompp -po
for
o
ptions-s
t
y
l
e mdp handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Abr
a
ham
Clean up cmak
e
bui
l
d
h
ost d
e
tect
i
on
commit
|
commitdiff
|
tree
2017-07-13
M
ark
Abra
h
am
Cle
a
n up g
m
x_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
M
a
rk
A
b
r
aham
Cleaned up mdr
u
nner_
s
t
a
rt_threads
commit
|
commitdiff
|
tree
2017-07-13
Mar
k
Abraham
More update
s
to testing matr
i
x
commit
|
commitdiff
|
tree
2017-07-07
Mark Abraham
R
efactor erro
r
handling in init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abra
h
am
S
i
mplify
g
mx_gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mar
k
Abraham
C
l
e
an up pic
k
_nbnxn_
r
esou
r
ce
s
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
C
l
eaned up GPU
e
m
ulation
l
ogic
commit
|
commitdiff
|
tree
2017-06-28
Mar
k
Abraham
C
l
eaned up hi
g
h-
l
evel boo
l
ean varia
b
le n
a
ming
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Merge branch rele
a
s
e
-
2016
commit
|
commitdiff
|
tree
2017-06-27
Ma
r
k Ab
r
aham
Minor imp
r
ovemen
t
s
to test c
o
nfi
g
s
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraha
m
Co
n
so
l
idated logic for choos
i
ng
n
um
b
e
r
of t
h
read-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
R
eplace misnamed nbnxn_
g
pu_ac
c
eleration_s
u
p
p
orted
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraha
m
Consolidate and fix
l
o
gic for mdr
u
n -
n
b and -gpui
d
commit
|
commitdiff
|
tree
2017-06-21
M
a
rk
Ab
r
a
h
am
Reform
n
gpu variab
l
e
commit
|
commitdiff
|
tree
2017-06-21
Mar
k
A
b
raham
Remo
v
e bUs
e
rSet
G
p
u
I
ds field
commit
|
commitdiff
|
tree
2017-06-14
Ma
r
k Abraham
Simplify
r
eporting fro
m
init_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark Abraham
M
ove gm
x
_p
a
r
se_g
p
u
_
id
out o
f
checking function
commit
|
commitdiff
|
tree
2017-05-31
Mark Abraham
New quo
t
e
commit
|
commitdiff
|
tree
2017-05-30
Ma
r
k A
b
raham
F
i
x NV
M
L error me
s
sage
s
commit
|
commitdiff
|
tree
2017-05-27
Mark A
b
raham
Quotes from Gott
i
ngen workshop
commit
|
commitdiff
|
tree
2017-05-26
M
ark Abra
h
a
m
Test invsixthroot funct
i
on as intend
e
d
commit
|
commitdiff
|
tree
2017-05-15
Mark Abr
a
ham
Updated use
o
f
compil
e
r
s
p
ecifier
s
in te
s
ting
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
raham
Upda
t
ed use
o
f gcc-5 spec
i
fi
e
rs
commit
|
commitdiff
|
tree
2017-05-15
Mark Abra
h
am
Update clang
static analyzer slave
t
o use ver
s
ion 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abra
h
a
m
Update
clang-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abr
a
ha
m
Fix formatting of MKL cmake do
c
s
commit
|
commitdiff
|
tree
2017-05-09
Mark Abr
a
ham
Merge
b
ranc
h
release-2
0
1
6
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Cleaned up memory usage
i
n gmx tr
a
j and trjc
o
nv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clean up memory usage wit
h
o
e
nv and xvg
writing
commit
|
commitdiff
|
tree
2017-04-17
Mark
A
b
r
aha
m
Minor ch
a
nge
to GP
U
c
ompatibility rep
o
rting handling
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Propose
a
post-subm
i
t matri
x
commit
|
commitdiff
|
tree
2017-04-03
Mark A
b
r
aham
Remo
v
e do_pb
c
_fi
r
st
commit
|
commitdiff
|
tree
2017-03-31
Mark Abr
a
ham
Mer
g
e branc
h
release-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark
A
bra
h
am
Fix param
e
ter de
s
cription for
d
ihedral_restr
a
in
t
s
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add section t
o
user guide for
m
a
naging simulat
i
o
ns
commit
|
commitdiff
|
tree
2017-03-19
Mark
Abraha
m
Fix string hand
l
ing for
g
cc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abrah
a
m
M
e
rge branc
h
release-2016
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k Abraham
Bumped versi
o
n to p
r
epare for next patch
release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
M
o
dernize
write_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k Abraham
Modernize read
_
inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark A
b
r
aham
T
e
st
s
for grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Mark Abraham
Refact
o
r GPU selecti
o
n handling
commit
|
commitdiff
|
tree
2017-03-07
Mark A
b
raham
Fix minor issues i
n
gmx traj -av
-a
f
commit
|
commitdiff
|
tree
2017-03-04
Mark Abrah
a
m
Fixes for xl compilers
13
.
1
.
5 on Po
w
er8
commit
|
commitdiff
|
tree
2017-02-20
Mark
Abraham
A
dd tests f
o
r old g
m
x energy function
a
lity
commit
|
commitdiff
|
tree
2017-02-17
Mark Abraham
Use
gmx:
:
Mutex and gmx::lock_guard to fix some issu
e
s
commit
|
commitdiff
|
tree
2017-02-15
M
a
rk Abraham
Merg
e
branch release-5
-
1 into
r
elease-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Fix handling of previous virials
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
r
aham
Reduce compi
l
ati
o
n coupling
commit
|
commitdiff
|
tree
2017-02-10
M
a
rk Abrah
a
m
Corrected output
of gmx do_dssp -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abr
a
ham
Compl
e
t
e the removal o
f
st
a
t
eful RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraha
m
Improved state_c
h
ang
e
_n
a
tom
s
an
d
used it more
commit
|
commitdiff
|
tree
2017-02-09
Mark
A
braha
m
R
e
m
ove EST_DISTR
from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk Abraham
E
nhanc
e
w
a
rnin
p
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k Abraham
E
xtend ser
i
ali
z
a
tion to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k Abra
h
a
m
Rem
o
ve docs f
o
r
uni
m
p
l
e
m
ented trjconv -clustercenter
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abraham
Create applied-force
s
module group
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk
Abraham
Give
MDModule
s
res
p
onsibility
f
or option handling
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
braham
Me
r
g
e br
a
nch re
l
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abr
a
ham
Bumped version
to prepar
e
for next patch r
e
lease
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
am
Intr
o
duc
e
d syste
m
prep
a
ration section
t
o use
r
guide
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Ab
r
aha
m
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Ma
r
k Abraham
Merge br
a
nch rel
e
ase-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-02-03
Ma
r
k
A
b
rah
a
m
Remove typedef struct in some mdtypes files
commit
|
commitdiff
|
tree
2017-02-02
M
a
rk Abraham
Clarify use of tau-p an
d
pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
Merge branch release
-
5-1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Ab
r
aham
Fix mul
t
i-domain
re
r
uns
commit
|
commitdiff
|
tree
2017-01-30
Mark A
b
raham
Do
n
't
print in
v
alid performance data
commit
|
commitdiff
|
tree
2017-01-23
Mark A
b
raham
S
t
opped header files
i
n
cl
u
d
i
ng state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed gmx rmsf -q
-
oq
.
commit
|
commitdiff
|
tree
2017-01-21
Ma
r
k
A
braham
R
e
moved init_state
commit
|
commitdiff
|
tree
2017-01-20
Mark A
b
rah
a
m
Init
i
alize
GMX_*_LIBRARIE
S
cmake variab
l
es earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abr
a
ham
Merge
b
ranch r
e
lea
s
e-2016
commit
|
commitdiff
|
tree
2017-01-06
Mark
A
braha
m
Document
I
Se
r
i
a
lize
r
class
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
St
o
p trying to
u
s
e objdump --re
l
oc on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix documentati
o
n of OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
M
ark
Abraham
Merg
e
branc
h
r
e
lease-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abra
h
am
Corrected documentation a
b
o
ut eigenva
l
ue handling
commit
|
commitdiff
|
tree
2016-12-20
M
ark Abra
h
a
m
Improv
e
build
s
y
s
t
em f
o
r
p
lu
g
in
s
upport
commit
|
commitdiff
|
tree
2016-12-20
M
a
r
k
Abra
h
am
S
anitize some inc
l
ud
e
hea
d
er
s
commit
|
commitdiff
|
tree
next