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
Use Git server (mirror) to avoid fetching problems
2012-02-21
Roland Schulz
Use G
i
t server (mirror) to
a
void fet
c
hing prob
l
ems
commit
|
commitdiff
|
tree
2012-02-05
Ro
l
and Sch
u
lz
Fix ICC on Windows Bui
l
d
commit
|
commitdiff
|
tree
2012-02-01
M
ark
A
brah
a
m
Fixed error message to ide
n
tify th
e
correct file
commit
|
commitdiff
|
tree
2012-01-31
R
oland Schulz
Append all ICC Performanc
e
flags
o
nly to
R
ele
a
s
e
Flags
commit
|
commitdiff
|
tree
2012-01-31
Roland Schulz
F
i
x signed/unsigned warnings
commit
|
commitdiff
|
tree
2012-01-18
Roland
Schulz
New approach fo
r
Ger
r
itBuild script
commit
|
commitdiff
|
tree
2011-12-15
Roland
S
chulz
Using MinSizeRel conf
i
guration and Relea
s
e target on
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
R
o
l
and Schu
l
z
Testing external BLAS/LAPACK
commit
|
commitdiff
|
tree
2011-12-15
Rol
a
nd
Schulz
Usi
n
g 2 co
r
e
s pe
r
build on Windows
commit
|
commitdiff
|
tree
2011-12-11
R
oland Sc
h
u
lz
Set -DMPI only if
c
ompiled for FAH
commit
|
commitdiff
|
tree
2011-12-11
Roland Schulz
Fixing MSVC
unsi
g
ned/signe
d
w
ar
n
ings
commit
|
commitdiff
|
tree
2011-12-10
Roland Schulz
Run tests al
s
o on Windows
commit
|
commitdiff
|
tree
2011-12-09
Rol
a
n
d Sc
h
u
l
z
Onl
y
check thos
e
atoms for PBC which are par
t
of selec
t
ion
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
R
o
l
and Schulz
Add
i
ng support f
o
r Windows build and di
f
f
e
re
n
t CMa
k
e
.
.
.
commit
|
commitdiff
|
tree
2011-11-30
Roland
Schulz
Addi
n
g Gerrit Bu
i
ld des
c
ription
commit
|
commitdiff
|
tree
2011-11-30
R
oland Schulz
Removing TestBuild
A
ll tes
t
commit
|
commitdiff
|
tree
2011-11-28
Roland Schulz
F
ix
F
F
T
W API usage
commit
|
commitdiff
|
tree
2011-11-24
Roland Schulz
Initialize varia
b
les to make GCC 4
.
6
not complain
commit
|
commitdiff
|
tree
2011-11-24
Mark Abraham
Only ana
l
yse angle transitions for dihedral angles
commit
|
commitdiff
|
tree
2011-11-24
Mar
k
Abraham
Added
protect
i
ve pr
e
pro
c
essor directi
v
es
commit
|
commitdiff
|
tree
2011-10-14
Rol
a
n
d
S
chulz
call to gm
x
_
m
t
o
p_generate_loca
l
_top is onl
y
required
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
R
ol
a
nd Schulz
Make
s
ur
e
tha
t
ftell works
c
or
r
ect
l
y for fil
e
s opened
.
.
.
commit
|
commitdiff
|
tree
2011-05-15
Roland
S
chulz
corr
e
cted typo
:
if(err
n
o=EINVAL)
commit
|
commitdiff
|
tree
2011-02-04
Roland Schu
l
z
using set_mm_ps to make pgi ha
p
py
commit
|
commitdiff
|
tree
2010-11-08
R
oland S
c
hulz
m
a
ki
n
g e
r
ror mes
s
ag
e
for v
m
dio clearer (bug
5
98
)
commit
|
commitdiff
|
tree
2010-11-04
Roland
Schulz
print m
o
r
e info
r
ma
t
i
on in case of lock error
commit
|
commitdiff
|
tree
2010-10-13
Roland Schulz
ma
k
e sure th
a
t
the MANPATH i
s
not set to
o
nly
GMXMANPATH
commit
|
commitdiff
|
tree
2010-10-11
R
o
l
a
nd Schulz
f
ixed spellin
g
commit
|
commitdiff
|
tree
2010-10-08
Roland Schulz
fixed locking of log file - broken
b
y d750b
9
c
e
commit
|
commitdiff
|
tree
2010-10-07
Roland Schulz
added a comm
e
nt about ass
u
mp
t
ions of
a
ligned memory
commit
|
commitdiff
|
tree
2010-10-04
Rola
n
d Schulz
fix broken ch
e
ck for d
l
open (b
y
Chri
s
t
o
p
h Junghans
.
.
.
commit
|
commitdiff
|
tree
2010-10-01
Roland
Schul
z
fix
F
FTW3 interface fo
r
n
o
n
a
ligned memory
commit
|
commitdiff
|
tree
2010-09-30
Roland Schulz
made vmdio wor
k
w
ith older api versio
n
(e
.
g
.
vmd 1
.
.
.
commit
|
commitdiff
|
tree
2010-09-27
Rol
a
nd Schu
l
z
inclu
d
e "error
.
h" was not neccessary and ca
u
sed problems
.
.
.
commit
|
commitdiff
|
tree
2010-09-26
Roland Schulz
1) gmx_fio_seek
w
as not returning correct retur
n
va
l
ue
.
.
.
commit
|
commitdiff
|
tree
2010-09-23
Roland Schulz
v
mdio read the box but didn'
t
mark it as
bee
i
ng rea
d
.
.
.
commit
|
commitdiff
|
tree
2010-09-19
R
o
land Schulz
fixed box vector rea
d
in vmdio
commit
|
commitdiff
|
tree
2010-08-26
Roland Schulz
Revert "Parenthes
i
s a
r
o
un
d
c
o
mpari
s
ons and no <
=
or
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Roland Schulz
fix logic
t
o
c
onvert GMX_INTEGER_BIG_ENDIAN to AR
C
H_IS_
B
IG_E
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
R
oland Sch
u
l
z
Parent
h
esis aro
u
nd c
o
mparisons and
no <
=
or
>= for xl
c
commit
|
commitdiff
|
tree
2010-08-17
Roland S
c
hul
z
U
se al
w
ays DIR_
S
EPARAT
O
R
commit
|
commitdiff
|
tree
2010-08-17
Roland Schu
l
z
Fix two
W
indows futil bugs:
commit
|
commitdiff
|
tree
2010-08-17
Roland Schulz
fixed spelling mis
t
ake
in
t
roduc
e
d by
30
3
d4543
commit
|
commitdiff
|
tree
2010-08-06
R
oland Schul
z
M
e
rge bra
n
ch 're
l
ease-
4
-
5
-
patches' of
s
sh
:
//gi
t
.
gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-08-06
R
o
land Sch
u
lz
clea
n
up: GMX_CG_INNERLOO
P
i
s
n't used anymore
commit
|
commitdiff
|
tree
2010-08-01
Roland Schulz
i
n
clu
d
e
sys/type
s
before
r
egex
f
or
broken
r
egex
.
h
commit
|
commitdiff
|
tree
2010-08-01
Ro
l
an
d
Schu
l
z
fix spelling etc epc
commit
|
commitdiff
|
tree
2010-08-01
Roland Schulz
added missing initialization
commit
|
commitdiff
|
tree
2010-07-03
Roland Sc
h
ul
z
runtime is only a
v
ailable on PP master (simmas
t
er)
.
.
.
commit
|
commitdiff
|
tree
2010-07-02
Ro
l
and Schulz
intializing stru
c
ts (to
avoid valgrind
err
o
r messages)
commit
|
commitdiff
|
tree
2010-07-02
Roland Schu
l
z
Initialize FFT data
.
So that Valgrind does
n
't complain
commit
|
commitdiff
|
tree
2010-05-11
R
oland Sch
u
lz
undo (accide
n
tial) change to FFTW_
P
ATIENT
commit
|
commitdiff
|
tree
2010-05-11
R
olan
d
Schulz
using
standard GMX nam
e
s for
r
eal/complex
commit
|
commitdiff
|
tree
2010-05-10
Roland Sc
h
ulz
fixed retur
n
f
o
r gmx_fft
_
many_1d*
commit
|
commitdiff
|
tree
2010-05-10
Roland Sch
u
lz
M
erge branch '
m
as
t
er' of
g
i
t
@git
.
gromac
s
.
org:gromac
s
commit
|
commitdiff
|
tree
2010-05-10
Roland
Schulz
i
g
n
ore Eclipse project
files
commit
|
commitdiff
|
tree
2010-05-10
Roland Schulz
al
w
ays define MP
I
_
Co
m
m
,
MPI_Request, MPI_Group to avoid
.
.
.
commit
|
commitdiff
|
tree
2010-04-06
Rola
n
d
Schulz
use
gmx
_
alloc_aligned
for fft data
commit
|
commitdiff
|
tree
2010-03-16
Roland Schulz
Comp
i
les now in seria
l
commit
|
commitdiff
|
tree
2010-03-16
Roland Schulz
+ Removed
a
ll FFTW dependen
c
ies o
f
FFT5D
commit
|
commitdiff
|
tree
2010-03-16
R
oland Sch
u
lz
calli
n
g
g
mx_fft for 1D FFTs instead of dire
c
tly cal
l
ing
.
.
.
commit
|
commitdiff
|
tree
2010-03-15
Ro
l
a
n
d Schu
l
z
dir
e
ctly c
a
ll fft
w
f
o
r serial case
commit
|
commitdiff
|
tree
2010-03-15
Roland Schulz
removed mem
c
p
y
fo
r
bo
t
h
no-MPI and 1D decomposi
t
ion
commit
|
commitdiff
|
tree
2010-03-08
Ro
l
and
S
c
h
ul
z
c++
f
ixes
commit
|
commitdiff
|
tree
2010-03-08
R
oland Schulz
ch
e
cking
w
h
e
t
h
er dlopen is wor
k
ing with s
t
a
t
ic library
.
.
.
commit
|
commitdiff
|
tree
2010-03-07
Rol
a
n
d
Schulz
M
erge branch 'master' of
g
it@git
.
gro
m
acs
.
org:gr
o
m
a
c
s
commit
|
commitdiff
|
tree
2010-03-02
Roland
S
ch
u
l
z
Merge branch 'release-4-0-patches'
commit
|
commitdiff
|
tree
2010-02-25
Rola
n
d
S
c
hulz
error mess
a
g
e
for -fit rot+t
r
ans -pbc
commit
|
commitdiff
|
tree
2010-02-25
Rolan
d
S
c
h
ulz
e
rr
o
r
m
essage
f
or -fi
t
r
o
t
+t
r
ans -pbc
commit
|
commitdiff
|
tree
2010-02-08
Roland
S
c
h
ulz
fix to FLT_EPS
I
L
ON
commit
|
commitdiff
|
tree
2010-02-08
Rolan
d
S
c
hulz
Merge
branch '2dpme' of git@git
.
g
r
omacs
.
org:gromacs
.
.
.
commit
|
commitdiff
|
tree
2010-02-08
Roland Schulz
fixed C89 erros
,
F
LT_EPSILON (thanks Pet
e
r)
commit
|
commitdiff
|
tree
2010-01-18
Ro
l
and Schulz
corrected: o
p
ening
bi
n
ary file w
i
th
rb+ instead of r+
commit
|
commitdiff
|
tree
2010-01-17
Ro
l
and
Sc
h
ulz
small fix
fo
r
using with fftw transp
o
se
commit
|
commitdiff
|
tree
2010-01-14
Roland
S
chulz
Merge branch
'
2
dpme' o
f
g
it@git
.
g
r
om
a
cs
.
or
g
:
g
romacs
.
.
.
commit
|
commitdiff
|
tree
2010-01-14
R
o
land Sc
h
ulz
up
d
at
e
d c
o
mments
commit
|
commitdiff
|
tree
2010-01-14
Roland Sch
u
lz
reduced
c
ommunication and FFT
t
o amount require
d
commit
|
commitdiff
|
tree
2010-01-13
R
o
land Schulz
Mer
g
e b
r
an
c
h
'tm
p
'
i
nto 2dpme
commit
|
commitdiff
|
tree
2010-01-13
R
oland S
c
hulz
impr
o
ved debugging output
commit
|
commitdiff
|
tree
2010-01-12
Ro
l
and Schulz
u
p
d
ate
d
a com
m
ent to refl
e
c
t
a ea
r
l
ier change
commit
|
commitdiff
|
tree
2010-01-07
Rola
n
d
S
chulz
fixed a
b
ug in
f
f
t5d onl
y
e
f
fect
i
ng external t
e
st
programs
commit
|
commitdiff
|
tree
2010-01-07
Roland Schulz
m
a
d
e evendis
t
c
ompile
time optio
n
also in fft5d
commit
|
commitdiff
|
tree
2010-01-07
Rola
n
d Schu
l
z
Merge branch '2dpme' of gi
t
@gi
t
.
grom
a
cs
.
org
:
g
r
o
m
acs
.
.
.
commit
|
commitdiff
|
tree
2010-01-05
R
ol
a
nd Schul
z
e
q
ually distribute
grid lines if not divisa
b
le
commit
|
commitdiff
|
tree
2010-01-05
Rolan
d
Sch
u
lz
Un
d
o Michael's accidental commi
t
s
with:
commit
|
commitdiff
|
tree
2009-12-30
Roland Schul
z
made
f
ft5d
co
m
pile
o
u
tside of GROMACS again
commit
|
commitdiff
|
tree
2009-12-16
Roland Schul
z
M
e
rge c
o
mmit 'or
i
gin/
m
a
s
ter' into 2d
p
me
commit
|
commitdiff
|
tree
2009-12-16
Ro
l
and Schulz
Added CMake
c
ode
to enab
l
e op
t
i
on of bu
i
l
ding "old
.
.
.
commit
|
commitdiff
|
tree
2009-12-15
Roland Schul
z
Merge branch '2dpme
'
of
g
i
t@git
.
gr
o
mac
s
.
org:gromacs
.
.
.
commit
|
commitdiff
|
tree
2009-12-15
Roland Schulz
Resto
r
ed 4?? x
8
6_6
4
_
s
s
e kern
e
ls (nee
d
ed
for F
A
H)
.
Ins
t
e
a
d
.
.
.
commit
|
commitdiff
|
tree
2009-12-11
Roland
Schulz
Ad
d
ed CMake
code to en
a
ble option of b
u
ildi
n
g "old
.
.
.
commit
|
commitdiff
|
tree
2009-12-11
Rola
n
d Schulz
co
m
piling with mpi and c++ -> set
CXX to MPICC (a
s
.
.
.
commit
|
commitdiff
|
tree
2009-12-01
R
o
land S
c
hulz
u
n
ion
i
nstead o
f
two pointers to sa
m
e address (brakes
.
.
.
commit
|
commitdiff
|
tree
2009-12-01
Rol
a
nd Schul
z
f
i
le ended twice in Makefile b
y
merge
commit
|
commitdiff
|
tree
2009-12-01
Rola
n
d Sch
u
lz
Merge branch '2dpme' of git@git
.
grom
a
cs
.
org:gr
o
macs
.
.
.
commit
|
commitdiff
|
tree
2009-11-30
Rol
a
nd
S
chulz
a
few mo
r
e ffopen/ff
c
l
ose fixes
commit
|
commitdiff
|
tree
2009-11-30
Roland
Schulz
C++ style comments -> C
commit
|
commitdiff
|
tree
2009-11-30
Roland Schulz
clos
e
al
l
files
with ffclose which are opened
with
.
.
.
commit
|
commitdiff
|
tree
2009-11-30
Ro
l
and Schulz
full license text fo
r
vm
d
files
commit
|
commitdiff
|
tree
2009-11-30
Rolan
d
Schulz
added missing inc
l
ude files
commit
|
commitdiff
|
tree
next