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Simplified handling of GPU device IDs
2017-08-07
Mark Abrah
a
m
Simplified handling of GPU
d
evi
c
e
IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abraham
Si
m
plify resou
r
ce-division effici
e
ncy check
commit
|
commitdiff
|
tree
2017-08-06
Mark Abraham
Spli
t
printhardware
f
r
om detecth
a
rdw
a
re
commit
|
commitdiff
|
tree
2017-08-06
Mark Abr
a
ham
Decouple task assign
m
ent from
t
ask execution
commit
|
commitdiff
|
tree
2017-08-04
Mark Abraha
m
Stop using hwinfo_
g
for re
p
or
t
ing code
commit
|
commitdiff
|
tree
2017-08-03
Mar
k
Abr
a
ham
Removed unuse
d
include statements
commit
|
commitdiff
|
tree
2017-08-01
Mark
Abraham
Introduced Mdrunner high
-
l
evel cl
a
ss
commit
|
commitdiff
|
tree
2017-07-27
Mar
k
Abraham
Enhance cmake and r
e
leng
h
a
n
d
ling
o
f GMX_US
E
_
RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark Abraham
Separated re
s
ponsibility fo
r
co
n
si
s
tency checking
commit
|
commitdiff
|
tree
2017-07-24
Mark Abra
h
am
Remo
v
e unn
e
cessary GPU che
c
k
i
ng
c
ode
commit
|
commitdiff
|
tree
2017-07-20
M
a
r
k
A
braham
Cleaned up b
U
seGpu in
ru
n
ner
commit
|
commitdiff
|
tree
2017-07-20
Mark Abraham
Sto
p
duplicate printing of detected GPUs
commit
|
commitdiff
|
tree
2017-07-20
Mark Ab
r
aham
Fix use of
G
M
X
_
SIMD in own
-
fft
w
b
uild
commit
|
commitdiff
|
tree
2017-07-19
Mark Abra
h
a
m
Mad
e
p
o
s
t
-
submi
t
c
onf
i
g to
t
e
st clang
+
openmp
.
commit
|
commitdiff
|
tree
2017-07-19
Mark Abr
a
ham
I
mprove C
M
ake imple
m
e
n
t
ation f
o
r GMX_
S
IMD
commit
|
commitdiff
|
tree
2017-07-18
Mark
Abraham
C
o
nverted some
const
point
e
rs
i
n
to cons
t
references
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
Ma
r
k Abraham
El
i
m
in
a
ted pick_nbnxn_resource
s
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Implem
e
nted grompp -po for options-style m
d
p handling
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Clean up cmake build host d
e
tect
i
on
commit
|
commitdiff
|
tree
2017-07-13
M
ark Ab
r
aham
Clea
n
up gmx_mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Ma
r
k Abraham
C
l
ea
n
ed up m
d
runner_start_threa
d
s
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
More updat
e
s
to
t
esting
matrix
commit
|
commitdiff
|
tree
2017-07-07
Mar
k
Abr
a
ha
m
Refactor
e
rro
r
handling in
init_gpu
commit
|
commitdiff
|
tree
2017-07-06
Mark Abr
a
ha
m
Simpl
i
fy gmx
_
gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Ma
r
k Abraham
Clea
n
up pick_nbnxn_resources
commit
|
commitdiff
|
tree
2017-07-01
Mark Abra
h
am
Cle
a
ned up GPU e
m
ulation l
o
gic
commit
|
commitdiff
|
tree
2017-06-28
Mark
Abraham
Cleaned up high-level boo
l
ean variable n
a
ming
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Merge bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-06-27
Mark Abra
h
a
m
Minor impr
o
vements
t
o
test
c
onfig
s
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Consolidated
logic
f
or choosing number of thre
a
d
-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abra
h
am
Repl
a
ce m
i
s
name
d
nbn
x
n_gp
u
_accelera
t
ion_supporte
d
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
C
o
n
s
olidate
and fix logic fo
r
mdrun
-
n
b
and
-g
p
uid
commit
|
commitdiff
|
tree
2017-06-21
M
ark Abra
h
a
m
R
eform ngpu variable
commit
|
commitdiff
|
tree
2017-06-21
Mark Abrah
a
m
Remo
v
e
bUser
S
e
t
Gp
u
Ids field
commit
|
commitdiff
|
tree
2017-06-14
Mark Ab
r
aham
S
i
m
plify
reporting from
i
n
i
t_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark A
b
raham
Move gmx_parse_gpu_id out of
che
c
kin
g
function
commit
|
commitdiff
|
tree
2017-05-31
M
ark Abra
h
am
New quote
commit
|
commitdiff
|
tree
2017-05-30
Mar
k
Abraham
F
ix NVML error
messages
commit
|
commitdiff
|
tree
2017-05-27
Mar
k
A
b
raham
Quotes
f
r
om G
o
tt
i
ngen workshop
commit
|
commitdiff
|
tree
2017-05-26
M
a
rk Abraham
Test i
n
v
s
i
xthroot func
t
i
o
n
a
s inte
n
ded
commit
|
commitdiff
|
tree
2017-05-15
Mark
A
braham
Updat
e
d u
s
e
of co
m
p
i
ler specifiers in
t
e
s
t
ing
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated u
s
e of
gcc-5 specif
i
ers
commit
|
commitdiff
|
tree
2017-05-15
M
a
rk Abraham
Update clang stat
i
c analyz
e
r
s
lave to
u
se vers
i
on 4
commit
|
commitdiff
|
tree
2017-05-14
Mark
A
braha
m
Update
c
l
ang
-
4
commit
|
commitdiff
|
tree
2017-05-09
Mark Ab
r
aham
F
i
x formatting of MKL c
m
ake
docs
commit
|
commitdiff
|
tree
2017-05-09
Mar
k
Abraham
M
erge branch
releas
e
-20
1
6
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk
Abraham
Cl
e
aned up mem
o
ry us
a
ge in gmx traj and trjconv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clean up memory u
s
a
g
e w
i
th oenv and xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Minor
c
ha
n
ge
to G
P
U
c
ompatibility report
i
ng
h
a
n
dli
n
g
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
P
r
o
p
ose a
p
ost
-
sub
m
it
m
a
trix
commit
|
commitdiff
|
tree
2017-04-03
Ma
r
k
Abrah
a
m
Remove
do
_
pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abr
a
h
a
m
Merge branch rel
e
ase
-
2016
commit
|
commitdiff
|
tree
2017-03-29
Mar
k
Abraham
Fix param
e
ter description for d
i
hedral_
r
est
r
aints
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add section to user guide for managing simulati
o
ns
commit
|
commitdiff
|
tree
2017-03-19
M
ark
A
b
raham
Fix
string h
a
n
d
ling for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
M
a
r
k Abraham
Merge branch releas
e
-2
0
16
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraha
m
Bumped version t
o
prepare for next patch release
commit
|
commitdiff
|
tree
2017-03-13
M
a
rk Abraham
V
ersion 2
0
16
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
M
o
dernize write_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
M
o
de
r
ni
z
e read_in
p
file
commit
|
commitdiff
|
tree
2017-03-13
Mar
k
Abr
a
ham
Tests for grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
M
a
rk
Abrah
a
m
Refacto
r
GPU selection handling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abraham
F
i
x minor issues in g
m
x traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
M
ark Abraham
F
ixes for xl compilers
13
.
1
.
5 on
P
o
w
er8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abraham
Add tes
t
s for old gmx energy
functionalit
y
commit
|
commitdiff
|
tree
2017-02-17
Mark A
b
raham
Use gmx::Mutex and gmx::lock_g
u
ard to f
i
x
s
ome issu
e
s
commit
|
commitdiff
|
tree
2017-02-15
Mark A
b
r
a
ham
M
erge br
a
nch release-5-1 into
release-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
F
ix handling of previous
v
i
r
i
als
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Red
u
ce compilation cou
p
lin
g
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Corre
c
ted
o
utput of gmx
d
o_dssp
-
s
c
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
C
o
mplete t
h
e removal of
stat
e
ful RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
I
mprove
d
state_
c
hange
_
na
t
oms and us
e
d
i
t
m
ore
commit
|
commitdiff
|
tree
2017-02-09
Mark A
b
r
aham
Rem
o
ve
EST_D
I
S
T
R from s
t
ate
.
h
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk Ab
r
aham
Enha
n
ce warninp
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
am
Extend seria
l
ization to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Mark
Abraham
Remove
d
o
c
s for
u
nimplem
e
nted trjconv
-
c
lu
s
terc
e
nter
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abraham
Create appli
e
d-forces module group
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraha
m
Give MDModules re
s
pon
s
i
b
i
lity f
o
r option
h
a
n
dling
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraham
Me
r
ge branch rel
e
a
s
e
-201
6
commit
|
commitdiff
|
tree
2017-02-07
Mar
k
Abraham
B
umped version to prepare for next patch release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
am
Introduced s
y
stem prepar
a
tion
s
e
ction to u
s
e
r
guide
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraham
Version 201
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mar
k
Abraham
M
erge
branc
h
r
ele
a
se-5-1
into r
e
lease-2
0
16
commit
|
commitdiff
|
tree
2017-02-03
Mark Abraham
Remove
t
yp
e
def struct in s
o
me mdtypes files
commit
|
commitdiff
|
tree
2017-02-02
Mark A
b
raham
Clarify use of
t
a
u
-p
and pcoupltype
commit
|
commitdiff
|
tree
2017-01-31
Ma
r
k Abraham
Merge bra
n
ch
releas
e
-5-1 into release-201
6
commit
|
commitdiff
|
tree
2017-01-30
Mar
k
Abraham
F
ix multi-domain
r
e
r
uns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
D
o
n't print invalid perfor
m
a
nce
d
ata
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
Stopped header fi
l
es including state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fixed gmx rms
f
-
q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraham
Removed
i
nit_state
commit
|
commitdiff
|
tree
2017-01-20
M
ark Abraham
Initial
i
ze GMX_*_L
I
BR
A
RIES cmake
variables earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
M
e
rge bran
c
h
r
elease-
2
016
commit
|
commitdiff
|
tree
2017-01-06
Mark Ab
r
a
h
am
Docume
n
t ISeri
a
lizer
c
lass
commit
|
commitdiff
|
tree
2017-01-04
M
a
rk
A
b
r
a
ham
Stop tryi
n
g to use
o
b
jdump --reloc on Ma
c
commit
|
commitdiff
|
tree
2017-01-04
Mark Abr
a
ha
m
F
ix
d
ocu
m
entation of OptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark
Abra
h
am
M
e
rge branch r
e
lease-5-1 into release-201
6
commit
|
commitdiff
|
tree
2016-12-20
Mar
k
Abraham
Corre
c
ted documentation abou
t
eigenva
l
ue handlin
g
commit
|
commitdiff
|
tree
2016-12-20
Mark
A
b
r
aham
Im
p
rove bu
i
ld
sy
s
tem for plugin support
commit
|
commitdiff
|
tree
2016-12-20
Mark Abr
a
ham
Sanitize some i
n
cl
u
de headers
commit
|
commitdiff
|
tree
next