repo.or.cz
/
gromacs.git
/
search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
log
|
graphiclog1
|
graphiclog2
|
commit
|
commitdiff
|
tree
|
refs
|
edit
|
fork
first
·
prev
·
next
Parse user-supplied GPU task assignment only when needed
2017-08-16
Mark Abra
h
am
Parse use
r
-supplied
G
PU ta
s
k assign
m
ent only when
n
eeded
commit
|
commitdiff
|
tree
2017-08-16
M
ark Abraham
Remove d
u
pl
i
cate GPU non-usag
e
hin
t
commit
|
commitdiff
|
tree
2017-08-16
Mark Abr
a
ham
Moved
logging
f
unctionality int
o
GPU usage report
commit
|
commitdiff
|
tree
2017-08-10
Mark
Abr
a
ham
Clari
f
y data flow in
GPU task assig
n
ment
commit
|
commitdiff
|
tree
2017-08-07
M
ar
k
A
b
raham
F
i
x include dependency
f
o
r
getenv
commit
|
commitdiff
|
tree
2017-08-07
Mark A
b
rah
a
m
S
i
m
p
lified handling
o
f GPU devic
e
IDs
commit
|
commitdiff
|
tree
2017-08-06
Mark A
b
raham
Simplify resource-divis
i
on
e
f
ficiency c
h
e
c
k
commit
|
commitdiff
|
tree
2017-08-06
Mark
Abraham
Split printhardware from de
t
ec
t
hard
w
are
commit
|
commitdiff
|
tree
2017-08-06
M
ark Abraham
Decouple t
a
sk assignment from task
execu
t
ion
commit
|
commitdiff
|
tree
2017-08-04
Mark Abr
a
ham
Stop
u
sing hwinfo_g for reporting code
commit
|
commitdiff
|
tree
2017-08-03
M
a
r
k
Abr
a
ham
Remo
v
ed
unused in
c
lud
e
statemen
t
s
commit
|
commitdiff
|
tree
2017-08-01
Mark Abraham
Introd
u
ced
M
d
r
u
n
ner
h
igh-level class
commit
|
commitdiff
|
tree
2017-07-27
Mark Abraham
Enh
a
nce cm
a
k
e a
n
d releng
h
andli
n
g of GMX_USE_RDTSCP
commit
|
commitdiff
|
tree
2017-07-24
Mark
A
braham
S
e
parated re
s
ponsibility for co
n
sist
e
ncy check
i
n
g
commit
|
commitdiff
|
tree
2017-07-24
Mark
Ab
r
aham
R
e
m
ove u
n
necessary GPU che
c
king code
commit
|
commitdiff
|
tree
2017-07-20
M
a
rk Abraham
Cleane
d
up
b
UseGpu
i
n runner
commit
|
commitdiff
|
tree
2017-07-20
M
ark A
b
rah
a
m
St
o
p du
p
l
i
cate
p
ri
n
ting
of dete
c
te
d
G
P
Us
commit
|
commitdiff
|
tree
2017-07-20
Mark
Abraham
Fi
x
use of GM
X
_S
I
MD in o
w
n-fftw b
u
il
d
commit
|
commitdiff
|
tree
2017-07-19
Mark Abraham
Ma
d
e post-s
u
bm
i
t
config to test clang+openmp
.
commit
|
commitdiff
|
tree
2017-07-19
M
a
r
k Abraham
I
mprov
e
CMake implementation for GMX
_
SIMD
commit
|
commitdiff
|
tree
2017-07-18
Mark
A
braham
Conv
e
rted some
c
on
s
t point
e
rs into
const refere
n
c
es
.
.
.
commit
|
commitdiff
|
tree
2017-07-18
M
a
rk
A
br
a
ham
Eliminated pick_
n
bnxn
_
res
o
urces
commit
|
commitdiff
|
tree
2017-07-14
M
ark Ab
r
aham
Implemented
g
rompp -po
f
or options-style
m
d
p
han
d
l
i
n
g
commit
|
commitdiff
|
tree
2017-07-14
Mark Abraham
Clean up cmake build host detectio
n
commit
|
commitdiff
|
tree
2017-07-13
Mark A
b
raham
Clean up gmx
_
mdrun()
commit
|
commitdiff
|
tree
2017-07-13
Mark Abraham
Cleaned up
mdrunner_start_thread
s
commit
|
commitdiff
|
tree
2017-07-13
Mark Abr
a
ham
M
ore up
d
ates to testing matrix
commit
|
commitdiff
|
tree
2017-07-07
Mark Abr
a
ham
Refactor e
r
ro
r
handlin
g
in
i
nit_g
p
u
commit
|
commitdiff
|
tree
2017-07-06
Ma
r
k Ab
r
aha
m
Si
m
plify gmx_gpu_op
t
_t
commit
|
commitdiff
|
tree
2017-07-04
Mark
A
braham
C
l
e
a
n up pick_nbnxn_resou
r
ces
commit
|
commitdiff
|
tree
2017-07-01
Mar
k
A
b
ra
h
am
Cleaned
u
p
G
PU em
u
lation
l
ogic
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraha
m
C
lea
n
ed up high-level boolean v
a
riable
n
aming
commit
|
commitdiff
|
tree
2017-06-28
M
ark Abra
h
am
Mer
g
e branch release
-
2016
commit
|
commitdiff
|
tree
2017-06-27
Mark Ab
r
aham
Minor improvemen
t
s to test c
o
n
f
i
g
s
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
Cons
o
l
i
dated lo
g
i
c for choosing number of thread-MPI
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
M
a
rk Ab
r
aha
m
Replace misnamed nbnxn_gpu_acce
l
eration_suppor
t
ed
commit
|
commitdiff
|
tree
2017-06-22
M
ark Abraham
Co
n
s
olidate and fix logic for mdrun -nb
and -g
p
uid
commit
|
commitdiff
|
tree
2017-06-21
Ma
r
k Abraham
Reform
n
gpu v
a
riable
commit
|
commitdiff
|
tree
2017-06-21
Ma
r
k Abraham
Remov
e
b
UserSetG
p
uIds f
i
eld
commit
|
commitdiff
|
tree
2017-06-14
Mark Abraham
Simplify reporting from in
i
t_gpu
commit
|
commitdiff
|
tree
2017-06-12
Mark A
b
raham
Mo
v
e gm
x
_parse_gpu_id out
of checking f
u
nc
t
io
n
commit
|
commitdiff
|
tree
2017-05-31
M
a
rk Abraham
New
q
uo
t
e
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
F
i
x NVML e
r
r
o
r
m
essages
commit
|
commitdiff
|
tree
2017-05-27
Mar
k
A
braham
Quotes
f
r
om
Gottingen workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraham
T
e
s
t
in
v
s
i
xt
h
root func
t
ion a
s
intended
commit
|
commitdiff
|
tree
2017-05-15
Mark A
b
ra
h
am
Upd
a
ted
u
se of comp
i
ler
specifiers in testing
commit
|
commitdiff
|
tree
2017-05-15
M
ark Abrah
a
m
Updated us
e
of gcc-5 specifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Upd
a
te c
l
a
ng static
a
nalyzer slave to use ver
s
ion 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abraham
Update clang-4
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abrah
a
m
Fix formatt
i
ng o
f
MKL cm
a
ke docs
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Cleaned up memo
r
y usage in gmx traj and trj
c
o
nv
commit
|
commitdiff
|
tree
2017-04-22
Mark
Abraham
Cle
a
n up memory usage with oenv and x
v
g writing
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
M
i
nor change to
GPU compatibility reporting
h
andlin
g
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
P
r
opose a
post
-
submit matrix
commit
|
commitdiff
|
tree
2017-04-03
M
a
rk
A
braham
Remove d
o
_pbc
_
first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abr
a
ham
Me
r
g
e
bra
n
ch release-2
0
16
commit
|
commitdiff
|
tree
2017-03-29
Mark Abr
a
ham
Fix parameter de
s
cript
i
on
f
or dihedral_restraint
s
commit
|
commitdiff
|
tree
2017-03-22
M
a
r
k
Abra
h
am
A
d
d section to u
s
er guide for managing simulation
s
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
Fix
string hand
l
ing f
o
r gcc
7
commit
|
commitdiff
|
tree
2017-03-14
M
ark Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark
A
bra
h
am
Bumped
v
er
s
ion to pr
e
p
a
re for ne
x
t patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark A
b
raham
Ve
r
sion
2
016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Ab
r
a
ham
Modernize write_
i
np
f
ile
commit
|
commitdiff
|
tree
2017-03-13
Mark Ab
r
aham
Modernize read_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Tests for grompp -f -p
o
commit
|
commitdiff
|
tree
2017-03-09
M
ark Abraham
Refactor GPU selection
h
andling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abra
h
am
Fix
m
inor is
s
ue
s
i
n
gmx traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
M
a
r
k
Abraham
Fixes for x
l
com
p
i
l
ers 13
.
1
.
5
on Power
8
commit
|
commitdiff
|
tree
2017-02-20
Mark
Abraham
Add te
s
ts for
o
ld gmx energ
y
functional
i
ty
commit
|
commitdiff
|
tree
2017-02-17
M
a
r
k
Abraham
Use gmx::Mu
t
ex
and gmx::lock_guard to
f
i
x
some i
s
sues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Merg
e
bran
c
h
rele
a
s
e
-5-1
i
nto rel
e
ase-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraha
m
F
ix handling of p
r
evious virial
s
commit
|
commitdiff
|
tree
2017-02-14
Mark Abr
a
ham
Red
u
ce compilat
i
on c
o
upli
n
g
commit
|
commitdiff
|
tree
2017-02-10
Mark Abr
a
h
a
m
Co
r
re
c
ted output o
f
gmx d
o
_dssp -
s
c
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Abraham
Complete the r
e
mova
l
of s
t
ateful
R
NG
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k
A
brah
a
m
Improved state_change_natoms and used it more
commit
|
commitdiff
|
tree
2017-02-09
Mark Ab
r
a
h
am
R
e
move EST_D
I
STR
from
state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark
A
braham
Enha
n
ce warnin
p
commit
|
commitdiff
|
tree
2017-02-08
Mark Abr
a
ha
m
Extend serializa
t
ion to gmx
_
i
nt6
4
_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Ab
r
aham
Remove d
o
c
s
for unim
p
lemented tr
j
c
o
nv -
c
lu
s
tercenter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abr
a
ham
Cr
e
ate applied-f
o
r
c
es mo
d
ule grou
p
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
A
b
raham
Give MDModule
s
respo
n
sibility for op
t
ion handl
i
ng
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Mer
g
e
branc
h
release-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abra
h
am
Bumped version to
prep
a
re
for
n
ext patc
h
release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Introduced s
y
stem prepar
a
tion section to user guide
commit
|
commitdiff
|
tree
2017-02-07
M
ark
Abraham
Version 201
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abrah
a
m
M
e
rge
branch release-5-1 into r
e
leas
e
-201
6
commit
|
commitdiff
|
tree
2017-02-03
M
ark Abraham
Remove t
y
pedef str
u
ct in some mdt
y
pes fi
l
e
s
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraha
m
Cla
r
if
y
us
e
of tau-p and pc
o
upl
t
ype
commit
|
commitdiff
|
tree
2017-01-31
Mark Abraham
Merge branch release-5
-
1 into release-2016
commit
|
commitdiff
|
tree
2017-01-30
M
a
rk Ab
r
ah
a
m
Fi
x
multi-do
m
ai
n
reruns
commit
|
commitdiff
|
tree
2017-01-30
M
a
rk
A
b
r
a
ham
Don't print invali
d
p
e
r
forma
n
ce da
t
a
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
Stopp
e
d header files includ
i
ng st
a
te
.
h
commit
|
commitdiff
|
tree
2017-01-22
M
ark A
b
ra
h
am
Fixed gmx rmsf -q -
o
q
.
commit
|
commitdiff
|
tree
2017-01-21
M
a
r
k
A
b
raham
Removed init_sta
t
e
commit
|
commitdiff
|
tree
2017-01-20
Mark
Abra
h
am
Init
i
aliz
e
GMX_*_LIB
R
ARIES cm
a
ke v
a
riabl
e
s earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Ab
r
a
h
am
Merge branch relea
s
e-2016
commit
|
commitdiff
|
tree
2017-01-06
M
a
rk Abrah
a
m
Do
c
ument ISer
i
aliz
e
r cla
s
s
commit
|
commitdiff
|
tree
2017-01-04
Mar
k
Abraham
Stop t
r
yi
n
g
t
o use objd
u
mp --r
e
l
oc
o
n
M
ac
commit
|
commitdiff
|
tree
next