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
Supported quiet trajectory-handling I/O
2017-09-05
C
hristoph Junghans
Supported quie
t
t
r
ajec
t
ory-ha
n
dling I/O
commit
|
commitdiff
|
tree
2016-11-10
C
hr
i
stoph J
u
n
g
han
s
cmake
:
fix build with GMX_EXTE
R
NAL_T
N
G=ON
commit
|
commitdiff
|
tree
2015-12-12
Christo
p
h Junghans
AdResS: l
o
st per
f
o
r
m
ance twea
k
commit
|
commitdiff
|
tree
2014-11-26
Chri
s
toph Jungha
n
s
Merge release-5-0 i
n
to master
commit
|
commitdiff
|
tree
2014-11-21
Christoph J
u
n
g
hans
Adde
d
.
t
r
avis
.
y
ml
commit
|
commitdiff
|
tree
2014-09-04
Chris
t
o
ph Jungha
n
s
c
make: missi
n
g qu
o
te
commit
|
commitdiff
|
tree
2014-03-11
Chr
i
sto
p
h
Junghans
I
nstall
e
nums
.
h
commit
|
commitdiff
|
tree
2014-03-01
Christoph
J
ungh
a
ns
sw
i
tch ld
_
seed from int
to gmx_
i
nt64_t
commit
|
commitdiff
|
tree
2014-02-20
Christoph Junghans
added
g
mx_is_{si
n
g
le,double}_precisio
n
commit
|
commitdiff
|
tree
2014-02-03
Christoph
J
unghans
cmake eats slas
h
es
commit
|
commitdiff
|
tree
2014-01-28
Ch
r
istoph J
u
ng
h
ans
c
make: added
F
F
T
W_UR
L
to
allow
e
a
sy offline build
commit
|
commitdiff
|
tree
2013-12-29
Chri
s
toph Jung
h
ans
cmak
e
: m
a
ke GMX_BUILD_OWN_FFTW work without for
t
ran
.
.
.
commit
|
commitdiff
|
tree
2013-12-20
C
h
r
i
stoph Junghan
s
r
e
-add Car
s
ten &
m
e to th
e
cop
y
r
ite
commit
|
commitdiff
|
tree
2013-10-03
C
hristoph Junghans
Fix parallel build for GMX_BUILD_O
W
N_FFT
W
commit
|
commitdiff
|
tree
2013-09-26
Christoph Ju
n
ghans
Drop md5sum c
h
eck for GMX_BUILD_OWN_FFTW
commit
|
commitdiff
|
tree
2013-07-30
Chr
i
stoph Jung
h
a
ns
c
m
ake: Improve
some er
r
or messages
commit
|
commitdiff
|
tree
2013-07-06
Christoph Junghans
more
p
kg-co
n
f
i
g
fix
e
s
commit
|
commitdiff
|
tree
2013-07-04
Chr
i
stoph Jun
g
hans
Fixed some inco
n
sistencies in pkg-config files
commit
|
commitdiff
|
tree
2013-05-15
Christoph
J
unghans
Mer
g
e
"
fixed
i
ncorrect scaling of cos-acceleration
.
.
.
commit
|
commitdiff
|
tree
2013-05-10
Christoph Junghans
impro
v
e
b
u
i
ld wit
h
OpenMM,
sti
l
l n
o
t 100% fixe
d
commit
|
commitdiff
|
tree
2013-04-29
Christoph Jun
g
hans
Merge "Fix another bug i
n
se
l
ection subex
p
ressio
n
handling
.
"
commit
|
commitdiff
|
tree
2013-04-29
Ch
r
istoph
J
un
g
hans
Merge "Fix bug in selection subexpression h
a
ndling
.
"
commit
|
commitdiff
|
tree
2013-04-26
Chris
t
oph J
u
n
ghans
Mer
g
e "v-rescale works with tau-t
>
=
0" into
release-4-6
commit
|
commitdiff
|
tree
2013-04-16
Christ
o
p
h Junghans
Use
git snapsho
t
s of the test
s
i
f are on g
i
t
commit
|
commitdiff
|
tree
2013-03-29
Christoph Jungha
n
s
M
e
r
ge "Added install guid
e
section for BLAS
/
LAPACK
.
.
.
commit
|
commitdiff
|
tree
2013-03-19
Chris
t
oph Junghans
M
e
rge "Essen
t
i
a
l
dynamics: fi
x
e
d
l
egend in ED
.
xvg
.
.
.
commit
|
commitdiff
|
tree
2013-03-02
Chri
s
toph Junghans
M
e
rge "Uncr
u
stifie
d
code changes sin
c
e 4
.
6" into release-4-6
commit
|
commitdiff
|
tree
2013-02-26
Christoph Junghans
Merge "Merge release-4-6 into
m
aster"
commit
|
commitdiff
|
tree
2013-02-20
C
hristoph Junghans
Bump sh
a
re
d
obj
e
ct
version to 8
commit
|
commitdiff
|
tree
2013-02-12
Christoph J
u
nghans
U
pdated
Find
G
S
L
.
cmake t
o
versio
n
writt
e
n by m
e
.
commit
|
commitdiff
|
tree
2013-02-05
Christoph Junghans
Merge "Documen
t
ed what GMX_CPU_ACCELERATION really
.
.
.
commit
|
commitdiff
|
tree
2013-02-05
C
h
r
is
t
oph Jung
h
an
s
i
mprove setup of multiple t
f
t
a
bl
e
s
commit
|
commitdiff
|
tree
2013-02-02
Chri
s
t
o
ph Junghans
Fixed flo
p
c
o
unting
for generic cg/adres
s
kernels
commit
|
commitdiff
|
tree
2013-02-02
Christoph Junghans
cma
k
e: fixed typo in template CMakeLists
.
txt
commit
|
commitdiff
|
tree
2013-01-25
Christoph J
u
n
gh
a
n
s
fixe
d
copyr
i
ght of a
d
ress
k
ernel
commit
|
commitdiff
|
tree
2013-01-25
Chr
i
sto
p
h Ju
n
ghans
Merge "Moved a few
comments back
into position" int
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-21
Ch
r
i
s
t
o
ph
Ju
n
ghans
Merge
"
Set version info for 4
.
6
.
x r
e
lease
s
eries" int
o
.
.
.
commit
|
commitdiff
|
tree
2013-01-19
C
h
ristoph Jungha
n
s
Re
-
lic
e
nc
e
d FindG
R
OMACS
.
cmake
(was written by m
e
)
commit
|
commitdiff
|
tree
2013-01-17
Christoph
Junghans
Merge "Add
e
d note about make_edi and flooding in ED
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Chr
i
sto
p
h J
u
ngh
a
ns
Merge "use
t
h
e
c
omp
i
l
e
r version provided by CMake
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
Christoph Junghans
Merge "no
t
e th
e
r
e
a
s
on for auto-disablin
g
GPU suppor
t
.
.
.
commit
|
commitdiff
|
tree
2013-01-17
C
hr
i
stoph
J
un
g
hans
cle
a
n up fortran name mang
l
ing
commit
|
commitdiff
|
tree
2013-01-16
Christo
p
h Junghans
R
emove d
e
bug statment
commit
|
commitdiff
|
tree
2013-01-15
C
h
ris
t
o
ph Ju
n
ghan
s
Me
r
ge "Add
e
d fata
l
error for const
r
a
i
nts
+
L-BFGS minimizer
.
.
.
commit
|
commitdiff
|
tree
2013-01-15
C
hristoph J
u
nghans
Merge
"
di
s
ab
l
e OpenMP wit
h
al
l
OS
X gcc 4
.
2
-based compile
r
s
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Ch
r
istoph
J
u
nghans
Merge "Remove unuse
d
bfunc
.
h
.
" into rele
a
se-4
-
6
commit
|
commitdiff
|
tree
2013-01-13
Christop
h
J
u
n
g
hans
Merge "Clarifi
e
d some co
m
men
t
s & wa
r
nings
about thread
.
.
.
commit
|
commitdiff
|
tree
2013-01-13
Chr
i
stoph Jungha
n
s
Merge "Ma
n
age BlueGene/Q configura
t
ion" into release
-
4
-
6
commit
|
commitdiff
|
tree
2013-01-13
C
h
ris
t
oph Jungha
n
s
Merge "Re-orga
n
ize BlueGene toolch
a
in files" into relea
s
e-4-6
commit
|
commitdiff
|
tree
2013-01-13
Ch
r
istoph Junghans
M
e
rge
"
Changed
defaults for bu
i
lding shared libraries
.
.
.
commit
|
commitdiff
|
tree
2013-01-12
Christo
p
h
Junghans
Mer
g
e
"
A
d
d
e
d missing ex
p
o
r
t" into relea
s
e-4-
6
commit
|
commitdiff
|
tree
2013-01-11
C
hris
t
oph
J
u
nghan
s
Merge "consol
e
and log output improvements"
i
nto re
l
ease-4-6
commit
|
commitdiff
|
tree
2013-01-11
Christo
p
h Junghans
Merge "Fix CU
D
A bei
n
g quiet and mark all CUDA_* as
.
.
.
commit
|
commitdiff
|
tree
2013-01-11
C
hristoph Ju
n
ghans
M
e
rge "Remove incorrect assert added by 05f9a740
"
into
.
.
.
commit
|
commitdiff
|
tree
2013-01-07
Ch
r
i
s
t
oph Junghans
cmak
e
: remove doub
l
e
-negativ
e
qu
o
t
e
s logic
commit
|
commitdiff
|
tree
2013-01-07
C
hristoph
Junghans
Me
r
ge "Make gmx
_
cpuid
.
h self-s
t
an
d
i
ng
.
" into
release-4-6
commit
|
commitdiff
|
tree
2013-01-03
Chr
i
sto
p
h Junghans
add a
n
opt
i
on
t
o no
t
build
t
he templa
t
e
commit
|
commitdiff
|
tree
2013-01-03
C
h
r
i
stoph
Junghans
Add m
i
ss
i
ng
d
efines to PK
G
_CFLAGS
commit
|
commitdiff
|
tree
2013-01-03
Christoph
J
unghans
Merge "
R
e
move non-
f
unctional PowerP
C
invs
q
rt
.
" i
n
to
.
.
.
commit
|
commitdiff
|
tree
2012-12-30
Christo
p
h
Junghans
cm
a
ke: add option to install l
i
bmd
a
s l
i
bgmxm
d
commit
|
commitdiff
|
tree
2012-12-22
Chris
t
oph Ju
n
ghans
cmake:
m
ark
F
FTW_HAVE_{SIMD,AVX}
as advanced
commit
|
commitdiff
|
tree
2012-12-21
C
h
r
istoph
Jung
h
a
n
s
Merge "Rem
o
ve non-function
a
l compiler override for
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Chri
s
t
o
ph Jung
h
a
ns
Merge
"
Fixed AVX256 d
o
uble-precision k
e
r
nels for gcc
.
.
.
commit
|
commitdiff
|
tree
2012-12-20
Christoph Junghans
cmake: added option
to
d
isable quotes
commit
|
commitdiff
|
tree
2012-12-18
Ch
r
is
t
oph Ju
n
ghans
Me
r
ge
"Fixes redmine
issu
e
#1071" in
t
o
r
e
lea
s
e-4-6
commit
|
commitdiff
|
tree
2012-12-17
Christoph Junghans
Remov
e
the rest of the fortran
/
power6 acceleration
commit
|
commitdiff
|
tree
2012-12-13
Chris
t
oph J
u
n
ghans
Merge "Exte
n
d
ed genbox
t
o
i
n
s
ert molecules at given
.
.
.
commit
|
commitdiff
|
tree
2012-12-13
Christoph Jung
h
an
s
Always build template program
commit
|
commitdiff
|
tree
2012-12-11
Christoph
Junghans
Merge "Fix
c
ompi
l
ati
o
n with
P
GI"
i
nto release-
4
-6
commit
|
commitdiff
|
tree
2012-12-10
Christoph Junghans
Merge "force
C
+
+ linking of the gpu_u
t
ils" in
t
o rel
e
a
se-4-6
commit
|
commitdiff
|
tree
2012-12-05
Chris
t
op
h
J
u
n
ghans
fi
x
ed o
b
solete gmx_fatal in OpenMM b
u
ild
commit
|
commitdiff
|
tree
2012-11-29
Chr
i
sto
p
h Junghans
M
erge "Print error if
n
o
thread suppo
r
t
i
s ava
i
lable
.
.
.
commit
|
commitdiff
|
tree
2012-11-28
C
hristoph Junghan
s
M
e
rge "F
i
x c
p
ack s
r
c ignore rule" into release-4-6
commit
|
commitdiff
|
tree
2012-11-28
Chris
t
oph Junghan
s
Add o
p
t
ion to internally build FFTW if select
e
d
commit
|
commitdiff
|
tree
2012-11-22
Christo
p
h Junghans
impro
v
e Find
G
ROMACS
.
cmake
commit
|
commitdiff
|
tree
2012-11-20
Christoph Junghans
M
erge
"
Fix g_ms
d
-mol" into release-
4
-6
commit
|
commitdiff
|
tree
2012-11-20
Ch
r
ist
o
ph
J
unghans
M
erge "
F
ixes
bug
in g_hbond tha
t
make
s
it pr
o
d
u
ce fatal
.
.
.
commit
|
commitdiff
|
tree
2012-11-16
Christoph Junghans
Remove rest o
f
t
h
e xml sup
p
o
r
t
commit
|
commitdiff
|
tree
2012-11-15
Christoph Junghan
s
Merge
"Te
s
t
that compiling and linking of A
V
X works
.
.
.
commit
|
commitdiff
|
tree
2012-11-12
C
hristoph Junghans
Merg
e
"Opti
o
n t
o
cre
a
te symlinks
t
o
g
_an
a
.
"
commit
|
commitdiff
|
tree
2012-11-12
Christ
o
ph Junghans
Merge "Always use rela
t
ive
i
nst
a
ll paths
.
"
commit
|
commitdiff
|
tree
2012-11-08
Christoph Junghans
Mer
g
e "au
t
o
-set nvcc host compiler with FindMPI det
e
cti
o
n
.
.
.
commit
|
commitdiff
|
tree
2012-11-08
Christ
o
ph J
u
nghans
Merge "
R
elocated
lo
g
ic of sim
p
le-vs-GPU Ewald table
.
.
.
commit
|
commitdiff
|
tree
2012-11-07
Christoph Junghans
Ob
e
y DSO standard
commit
|
commitdiff
|
tree
2012-11-03
Chri
s
top
h
Junghans
Reworked ver
s
ion of
c
m
ake FFTW d
e
te
c
tion
commit
|
commitdiff
|
tree
2012-11-01
Christ
o
ph Junghans
Actually d
i
sable GPU when compiling i
n
dou
b
le
commit
|
commitdiff
|
tree
2012-10-27
Chris
t
o
ph Junghans
Merge "Fix large
file su
p
port"
i
nto re
l
e
ase-4-5-pa
t
c
hes
commit
|
commitdiff
|
tree
2012-10-26
Christo
p
h Junghans
Merge "
e
nable GMX_PR
E
FER
_
STATIC_LIBS CMake o
p
tion on
.
.
.
commit
|
commitdiff
|
tree
2012-10-26
Chri
s
toph Junghans
Merge
"
fix false positi
v
e
g
cc 4
.
7
w
arning
i
n l
i
bxdrf
.
.
.
commit
|
commitdiff
|
tree
2012-10-10
Christoph
J
u
n
gh
a
ns
f
i
xed
h
e
a
de
r
for 3
r
d party apps
commit
|
commitdiff
|
tree
2012-10-02
Christop
h
J
u
n
ghans
Merge "Merge release-4-6 i
n
to
maste
r
"
commit
|
commitdiff
|
tree
2012-09-27
Christ
o
ph Jungha
n
s
Merge "Fixed an off-by-one
error
i
n atom counti
n
g in
.
.
.
commit
|
commitdiff
|
tree
2012-09-25
Christoph
J
unghans
M
erge "Fix REMD
use o
f
g
m
x
_
large_i
n
t_t for
#
steps
v
ariable
.
.
.
commit
|
commitdiff
|
tree
2012-09-14
Christo
p
h
J
u
n
ghans
Merg
e
"fixed
recent b
u
g with
grompp c
h
e
c
k for P-R
P
.
.
.
commit
|
commitdiff
|
tree
2012-09-10
C
hrist
o
ph Junghans
updated references
commit
|
commitdiff
|
tree
2012-09-10
Christoph Junghans
Merge "A
l
lo
w
'atomname' and 'atomtype' i
n
sel
e
cti
o
ns
.
"
commit
|
commitdiff
|
tree
2012-09-07
Christoph Jungh
a
ns
Me
r
ge "
F
ix VMD
p
lugins on
W
indows" i
n
to release-4-6
commit
|
commitdiff
|
tree
2012-09-07
Christ
o
p
h Junghans
Merge "Check that gmx_detectcpu r
u
ns correctly" into
.
.
.
commit
|
commitdiff
|
tree
2012-09-04
Christoph Jung
h
ans
Merge "Fixes too ma
n
y backup file
s
for *
.
nroff f
i
les
.
.
.
commit
|
commitdiff
|
tree
2012-09-04
Christoph Junghans
Merge "Re
o
rganize Command
L
ineHe
l
p
Writ
e
r
i
mp
l
e
mentation
.
"
commit
|
commitdiff
|
tree
next