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
Simplify gmx_gpu_opt_t
2017-07-06
Mark A
b
raham
Simpl
i
fy gmx_gpu_opt_t
commit
|
commitdiff
|
tree
2017-07-04
Mark Abraham
Clean
u
p pick_
n
bnxn_res
o
urces
commit
|
commitdiff
|
tree
2017-07-01
Mark Abraham
Cle
a
ned up GPU emul
a
t
i
on logic
commit
|
commitdiff
|
tree
2017-06-28
Mark Abraham
Cleaned up
high-level boolea
n
variable
naming
commit
|
commitdiff
|
tree
2017-06-28
M
ark Abraham
Merge br
a
nch release-20
1
6
commit
|
commitdiff
|
tree
2017-06-27
Mark Abraham
Minor improvement
s
to test configs
commit
|
commitdiff
|
tree
2017-06-22
Mark A
b
raham
C
o
nsolidated logic for choosing number of thread-M
P
I
.
.
.
commit
|
commitdiff
|
tree
2017-06-22
Mark Abr
a
ham
R
e
place misnamed nb
n
xn_gpu_ac
c
e
l
erat
i
on_supported
commit
|
commitdiff
|
tree
2017-06-22
Mark Abraham
C
onsolidate and fix logi
c
fo
r
md
r
u
n
-nb and -gpuid
commit
|
commitdiff
|
tree
2017-06-21
Mark Abraham
Reform ngpu var
i
able
commit
|
commitdiff
|
tree
2017-06-21
M
a
rk Abraham
Remove bUserSetGpu
I
ds f
i
eld
commit
|
commitdiff
|
tree
2017-06-14
Mark Ab
r
aham
Simp
l
ify reporting
from
i
ni
t
_
g
pu
commit
|
commitdiff
|
tree
2017-06-12
Mark Abraham
M
ove gmx
_
parse_gpu_id ou
t
of
c
hecking function
commit
|
commitdiff
|
tree
2017-05-31
M
ark Abra
h
am
N
ew quote
commit
|
commitdiff
|
tree
2017-05-30
Mark Abraham
F
ix NVML error messages
commit
|
commitdiff
|
tree
2017-05-27
M
ark Abraham
Quotes fro
m
Gottin
g
en workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraha
m
Test in
v
s
i
xthr
o
ot function as i
n
tended
commit
|
commitdiff
|
tree
2017-05-15
Mark
A
braham
Update
d
use of
c
ompiler specifiers in t
e
sting
commit
|
commitdiff
|
tree
2017-05-15
Mark
A
b
raham
Updated use of gcc-5
specifiers
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Update clang st
a
tic an
a
l
y
z
er s
l
ave
t
o use ver
s
ion 4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abr
a
ham
Upda
t
e
clang
-
4
commit
|
commitdiff
|
tree
2017-05-09
Ma
r
k
A
b
raham
F
ix formatting
o
f
M
K
L c
m
ake docs
commit
|
commitdiff
|
tree
2017-05-09
M
a
rk Abraham
Merge bran
c
h re
l
e
ase-2016
commit
|
commitdiff
|
tree
2017-05-09
Ma
r
k A
b
raha
m
Cle
a
ne
d
up memory usage i
n
gm
x
t
raj and trjconv
commit
|
commitdiff
|
tree
2017-04-22
M
a
rk Abr
a
ham
Cl
e
an u
p
memor
y
usage
w
i
th oenv and xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Mark Abra
h
a
m
Minor change to GPU co
m
patibil
i
ty r
e
po
r
ting handl
i
ng
commit
|
commitdiff
|
tree
2017-04-17
Mark Abraham
Pr
o
pose a pos
t
-submi
t
matrix
commit
|
commitdiff
|
tree
2017-04-03
Mark Abraham
Remo
v
e do_pbc_
f
irst
commit
|
commitdiff
|
tree
2017-03-31
M
a
rk Abraham
Merge
b
ranch relea
s
e-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraha
m
F
i
x parameter description for dihedral
_
rest
r
aint
s
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraha
m
Add sec
t
i
on to user guide
for m
a
nag
i
ng simu
l
ations
commit
|
commitdiff
|
tree
2017-03-19
Mar
k
Abraham
Fix
s
tring h
a
ndling fo
r
gcc 7
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Merge branch
r
elease-201
6
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bumped
v
ersion to
prepar
e
f
or ne
x
t
patc
h
r
e
lease
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Versio
n
2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modernize write_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modernize read_in
p
file
commit
|
commitdiff
|
tree
2017-03-13
Mar
k
Ab
r
aham
T
e
s
ts for grompp -
f
-po
commit
|
commitdiff
|
tree
2017-03-09
M
a
rk
A
braham
Refactor GPU se
l
ection
handling
commit
|
commitdiff
|
tree
2017-03-07
Mark Abr
a
ham
Fix mino
r
issues i
n
gmx traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
Mark Abra
h
am
Fixes for xl
compil
e
r
s
13
.
1
.
5 on Power
8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abraha
m
A
dd
tests for old
gmx energy functio
n
ali
t
y
commit
|
commitdiff
|
tree
2017-02-17
Mark Abraham
U
s
e g
m
x:
:
M
u
tex
a
nd gmx::lock_guard to fix some iss
u
es
commit
|
commitdiff
|
tree
2017-02-15
M
a
rk Abra
h
am
Merge bran
c
h re
l
ease-5-
1
i
n
to relea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-14
M
a
rk
Abraha
m
Fix
h
andling of previous vir
i
als
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Reduce compi
l
ation coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraham
Corrected outp
u
t of
g
mx do_dssp
-sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
C
omplete th
e
re
m
oval of stateful
RN
G
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k A
b
r
aham
Improved state
_
change_nato
m
s and used
it m
o
re
commit
|
commitdiff
|
tree
2017-02-09
Ma
r
k Ab
r
aham
Remove EST_DI
S
TR from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Enh
a
n
c
e
wa
r
nin
p
commit
|
commitdiff
|
tree
2017-02-08
M
a
rk Abrah
a
m
Ext
e
nd seriali
z
ation to gmx_i
n
t64_t
commit
|
commitdiff
|
tree
2017-02-08
Ma
r
k
A
br
a
ham
Remove
d
ocs
f
o
r unimplem
e
nted trjc
o
n
v
-cl
u
sterc
e
nter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
am
Cr
e
a
t
e
a
pplied-forces mo
d
ul
e
g
roup
commit
|
commitdiff
|
tree
2017-02-08
Mark Abr
a
h
a
m
G
i
ve
M
DMod
u
l
e
s responsib
i
lity f
o
r
o
p
t
io
n
han
d
l
i
ng
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk Abraham
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Ab
r
aha
m
Bumped version to prepare fo
r
next patch re
l
ease
commit
|
commitdiff
|
tree
2017-02-07
M
a
r
k
A
b
r
aha
m
Int
r
o
duced syst
e
m prepara
t
ion section to user guide
commit
|
commitdiff
|
tree
2017-02-07
M
a
rk
A
braham
Version
2
016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Merg
e
branch release-5-1 into relea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark Abr
a
ham
Remove typedef struct in some mdtypes
f
iles
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
Clarify use
of
t
au
-
p an
d
pcoupl
t
ype
commit
|
commitdiff
|
tree
2017-01-31
Ma
r
k Abraham
Merg
e
branc
h
release-5-1
i
nto r
e
lease-2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraha
m
F
ix multi-do
m
ain reru
n
s
commit
|
commitdiff
|
tree
2017-01-30
Mar
k
Abraham
D
o
n't print invalid performance data
commit
|
commitdiff
|
tree
2017-01-23
Mark Ab
r
aha
m
Sto
p
ped hea
d
er
files including state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark
A
braham
F
i
xed gmx r
m
sf -q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
Ma
r
k
A
braha
m
R
emoved in
i
t
_stat
e
commit
|
commitdiff
|
tree
2017-01-20
Mark Abraham
I
n
itia
l
ize GMX_*_
L
IBRARIES cmake variables earl
i
e
r
commit
|
commitdiff
|
tree
2017-01-14
Mark Abra
h
am
Merge branch re
l
ease-20
1
6
commit
|
commitdiff
|
tree
2017-01-06
Mark
Ab
r
aham
Document
ISerializer cl
a
ss
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
St
o
p tryin
g
to
u
se objdump --
r
el
o
c on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Ab
r
aha
m
Fix
documenta
t
i
o
n
of
O
ptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Mark Abrah
a
m
Merge branch release-5-1 int
o
r
elea
s
e-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Co
r
rected
d
ocumentation about e
i
g
envalue handling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
I
mpro
v
e
b
u
ild system for plug
i
n
support
commit
|
commitdiff
|
tree
2016-12-20
Mark Abrah
a
m
S
a
n
itiz
e
s
o
me incl
u
de hea
d
e
r
s
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Merge branch rele
a
s
e-2016
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Removed supp
o
rt for
m
ultiple ent
r
ies
in mdp f
i
les
commit
|
commitdiff
|
tree
2016-12-15
Mark Abr
a
ham
Handle wa
r
ninp correctly in xpm2ps and membed
commit
|
commitdiff
|
tree
2016-12-14
Ma
r
k Abraham
F
i
x m
i
sleading para
l
lelizati
o
n d
o
c
s
for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
F
ix logic of TRR reading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abr
a
ham
Remo
v
e nxframe from t_trxstatus
commit
|
commitdiff
|
tree
2016-12-08
M
a
rk
Ab
r
a
h
a
m
Consolida
t
e files suppo
r
ting TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Merge branch release-20
1
6
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix memory
h
andling in gmx dump of
TN
G
files
commit
|
commitdiff
|
tree
2016-12-05
M
a
rk Ab
r
aham
Remove undue
n
arrowing of in
t
eger
in T
N
G reading
commit
|
commitdiff
|
tree
2016-12-01
M
a
rk Abraham
Add INSTALL-dev to
a
id peopl
e
do
i
ng
u
nusual bu
i
l
ds
commit
|
commitdiff
|
tree
2016-12-01
Mark Abra
h
am
Fi
x
minor trjc
o
nv bug
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraham
Stop
i
ncluding t
n
g_io_
f
wd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark
Abrah
a
m
E
nhanced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Created paddedvec
t
o
r
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mar
k
Abraham
Remove
unimplement
e
d
g
mx trj
c
at -vel
commit
|
commitdiff
|
tree
2016-10-31
Mark Ab
r
a
ham
Merge br
a
n
c
h r
e
lease
-
2016
commit
|
commitdiff
|
tree
2016-10-31
Mark
A
braham
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-10-28
Mark Abrah
a
m
Bumped version to
p
repare for next patch
r
elease
commit
|
commitdiff
|
tree
2016-10-28
Mark Abrah
a
m
Version 2016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Upd
a
te install g
u
ide
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Update cppcheck
s
up
p
o
rt to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abraham
Upgrade coverage matrix
.
commit
|
commitdiff
|
tree
next