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Autogenerate gromacs.7 from programs.txt
2012-07-07
R
oland
S
chul
z
Aut
o
generat
e
gr
o
macs
.
7
f
r
o
m
p
rograms
.
txt
commit
|
commitdiff
|
tree
2012-07-05
Rolan
d
Schulz
D
on't reru
n
checks and be quiet 2nd t
i
me cmake is run
commit
|
commitdiff
|
tree
2012-06-28
Rolan
d
S
ch
u
lz
Al
l
ow
als
o
FindMPI for cmake<2
.
8
.
5
commit
|
commitdiff
|
tree
2012-06-28
Rola
n
d Schulz
Fi
x
MPI build for MPI library without
m
p
i wrapper
commit
|
commitdiff
|
tree
2012-06-26
Roland Schul
z
Fix that rerunni
n
g
c
make gives the same re
s
u
lt as 1st run
commit
|
commitdiff
|
tree
2012-06-24
Rol
a
nd Schul
z
F
ix
m
d
p_op
t
formattin
g
o
f
ex
p
an
d
e
d ensemble
commit
|
commitdiff
|
tree
2012-06-24
Roland Schul
z
Remove
MPI define
f
or
F
AH
commit
|
commitdiff
|
tree
2012-06-01
Ro
l
and Sc
h
ulz
Merge release-
4
-5-pa
t
c
hes
i
n
t
o release-4-
6
commit
|
commitdiff
|
tree
2012-06-01
R
o
la
n
d Schulz
Replace our
f
f
t
p
a
ck version w
i
th
Numpy's vers
i
on
commit
|
commitdiff
|
tree
2012-05-27
Roland
S
chulz
F
ix e
d
itc
o
nf
r
eal-
b
ool
misusage
commit
|
commitdiff
|
tree
2012-05-27
Rolan
d
Sc
h
ulz
Fix Clan
g
3
.
1 warning
commit
|
commitdiff
|
tree
2012-05-23
Roland Schulz
F
ix
t
hat sigactio
n
mask
w
asn't zeroed
commit
|
commitdiff
|
tree
2012-05-23
Roland Sc
h
ulz
Code cleanup to avoid name
c
ollisions
commit
|
commitdiff
|
tree
2012-05-22
Rolan
d
Schul
z
U
s
e
E
x
ternal BLA
S
/
LAP
A
CK
by default
commit
|
commitdiff
|
tree
2012-05-18
Rola
n
d Schul
z
Rename
B
OO
L
t
o EB
O
OL
commit
|
commitdiff
|
tree
2012-05-16
Rolan
d
Schul
z
Fixin
g
mo
r
e cl
a
ng warnings
commit
|
commitdiff
|
tree
2012-05-08
Roland Schulz
Fixing more Clang w
a
rni
n
gs
commit
|
commitdiff
|
tree
2012-05-01
R
oland S
c
hulz
Fix Wi
n
dow
s
specific
cmake hacks
commit
|
commitdiff
|
tree
2012-04-30
Roland Schulz
Fi
x
gmxdump error i
n
trodu
c
ed
b
y
553d4b
1
3
6
9
commit
|
commitdiff
|
tree
2012-04-29
Roland Schu
l
z
Disab
l
e OpenMP for l
l
vm-gcc 4
.
2
.
x
commit
|
commitdiff
|
tree
2012-04-29
Ro
l
and Sch
u
l
z
Merg
e
rel
e
as
e
-
4
-5-patc
h
es into rele
a
se-4-6
commit
|
commitdiff
|
tree
2012-04-29
R
o
l
a
nd Schul
z
D
on
'
t
enable ASM if no asm kernel
i
s selected
commit
|
commitdiff
|
tree
2012-04-29
Roland Schulz
Me
r
ge
release
-
4-
5
-patches into
release
-
4
-6
commit
|
commitdiff
|
tree
2012-04-28
Be
r
k Hess
fixe
d
PME fo
r
ces with FE, fixes #929 intro
d
u
ced in
.
.
.
commit
|
commitdiff
|
tree
2012-04-28
Roland S
c
h
u
l
z
Fix
srenew/
s
free_a
l
ign
e
d misuse in PME
commit
|
commitdiff
|
tree
2012-04-27
Roland Schulz
Remove checks b
a
sed
o
n
Generator
commit
|
commitdiff
|
tree
2012-04-27
Ro
l
and Sch
u
lz
F
i
x for
s
i
gac
t
ion
commit
|
commitdiff
|
tree
2012-04-22
Roland S
c
hulz
Resolving a
c
ouple of
c
l
a
n
g
ana
l
yze
r
warnin
g
s
commit
|
commitdiff
|
tree
2012-04-16
Roland S
c
hu
l
z
R
e
start
I
O operations when interrupter
by si
g
n
al
commit
|
commitdiff
|
tree
2012-04-11
Rol
a
nd
S
chu
l
z
Fix tha
t
directo
r
y is not mistaken for
b
i
n
ary
commit
|
commitdiff
|
tree
2012-04-06
Roland S
c
hulz
Fix domai
n
decomposition set
u
p fo
r
>46k c
o
res
commit
|
commitdiff
|
tree
2012-04-03
Rola
n
d
Schu
l
z
Me
r
ge remote-tracking branch 'g
e
rri
t
/
rele
a
se-4-5
-
patches
.
.
.
commit
|
commitdiff
|
tree
2012-03-27
Roland Schulz
Resolving clang
analyzer warnings
in analy
s
is
commit
|
commitdiff
|
tree
2012-03-26
Roland Schul
z
War
n
when a value is unused
commit
|
commitdiff
|
tree
2012-03-21
Rolan
d
Schulz
Remo
v
in
g
unus
e
d co
d
e
commit
|
commitdiff
|
tree
2012-03-16
Berk Hess
fixed incorrect table all
o
cation
commit
|
commitdiff
|
tree
2012-03-16
Roland S
c
hulz
Merge release-4-5
-
patches into release
-
4-6
commit
|
commitdiff
|
tree
2012-03-15
Roland Schulz
F
ix
most err
o
rs found by
c
ppcheck
commit
|
commitdiff
|
tree
2012-03-10
Rol
a
nd
S
chulz
A
ctiva
t
in
g
more
GCC warnin
g
s
commit
|
commitdiff
|
tree
2012-03-10
Rola
n
d
S
c
h
u
lz
Fix
t
ypo in
C
lan
g
CFlags
commit
|
commitdiff
|
tree
2012-03-04
Rolan
d
Schu
l
z
Mini
m
al suppo
r
t for Clang
commit
|
commitdiff
|
tree
2012-02-23
Roland Schulz
Merge remote-tracking
branch '
g
erri
t
/relea
s
e-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2012-02-21
Roland
S
c
hul
z
Us
e
Git server (mirror) to
a
void fetching
p
roblems
commit
|
commitdiff
|
tree
2012-02-09
Szilard P
a
ll
renamed GMX_THREADS t
o
GMX
_
THREAD_MPI
commit
|
commitdiff
|
tree
2012-02-08
Roland Schulz
M
erge remot
e
-tracking branch 'g
e
rrit/
r
elease-4-5-
p
atches
.
.
.
commit
|
commitdiff
|
tree
2012-02-05
Rol
a
nd Schulz
Fix ICC
on Window
s
Build
commit
|
commitdiff
|
tree
2012-02-03
Rol
a
nd
S
c
h
u
lz
Merge remote-tracking branch 'gerrit/
r
el
e
ase-
4
-
5
-patch
e
s
.
.
.
commit
|
commitdiff
|
tree
2012-02-01
M
ark Ab
r
aham
Fix
e
d error message to identify the correct file
commit
|
commitdiff
|
tree
2012-01-31
Rol
a
nd Schu
l
z
Append a
l
l
I
C
C
Perf
o
r
m
a
n
c
e flags only to Relea
s
e Flags
commit
|
commitdiff
|
tree
2012-01-31
Rol
a
n
d Schulz
Fix signed/
u
nsi
g
ned warnings
commit
|
commitdiff
|
tree
2012-01-19
Rolan
d
Sc
h
ulz
Me
r
ge release-4-5-patches into release-4-6
commit
|
commitdiff
|
tree
2012-01-18
Rol
a
nd Schulz
New approach fo
r
G
e
r
r
itBuild scri
p
t
commit
|
commitdiff
|
tree
2012-01-13
Rol
a
nd Schulz
R
emoving
o
utdated vsite commen
t
commit
|
commitdiff
|
tree
2011-12-26
Roland Schulz
Merge
r
emote-tracking branch 'gerrit/r
e
lea
s
e-4-5-patches
.
.
.
commit
|
commitdiff
|
tree
2011-12-20
R
o
land
Schulz
M
e
rge release
-
4
-5-patches int
o
rele
a
se
-
4-6
commit
|
commitdiff
|
tree
2011-12-15
Roland Sc
h
ulz
Using MinSizeRel configuratio
n
and Release targ
e
t on
.
.
.
commit
|
commitdiff
|
tree
2011-12-15
Rola
n
d Schulz
Testing ext
e
rnal BLAS/L
A
PACK
commit
|
commitdiff
|
tree
2011-12-15
R
o
l
a
n
d S
c
hulz
Usi
n
g 2 cores
per build on Windows
commit
|
commitdiff
|
tree
2011-12-11
Ro
l
and Schul
z
Merge release-4-5-
p
atch
e
s in
t
o release-4-6
commit
|
commitdiff
|
tree
2011-12-11
R
o
l
a
nd
S
chulz
S
e
t -DMP
I
on
l
y if c
o
mpiled for FAH
commit
|
commitdiff
|
tree
2011-12-11
Roland Schulz
Fixi
n
g
M
S
V
C
unsign
e
d/signe
d
w
arnings
commit
|
commitdiff
|
tree
2011-12-10
Rola
n
d Schul
z
R
un tests also on Windo
w
s
commit
|
commitdiff
|
tree
2011-12-09
Rolan
d
Schulz
O
n
ly c
h
e
ck those atoms for PBC
which are pa
r
t of selection
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
R
oland
S
chulz
Remove RETSIGTYPE
.
C89 defines
r
etur
n
va
l
ue to be void
.
commit
|
commitdiff
|
tree
2011-12-03
Roland
S
c
hu
l
z
Adding
s
upport for Windows build an
d
d
i
fferent CMake
.
.
.
commit
|
commitdiff
|
tree
2011-12-03
Roland Schul
z
Adding support for Windows b
u
i
l
d
and differ
e
n
t
C
M
a
ke
.
.
.
commit
|
commitdiff
|
tree
2011-11-30
Roland Sch
u
lz
A
d
ding Gerrit
B
u
i
l
d des
c
r
i
ption
commit
|
commitdiff
|
tree
2011-11-30
Roland Schu
l
z
Adding Gerrit
Build description
commit
|
commitdiff
|
tree
2011-11-30
Roland Schul
z
Removi
n
g TestBuildAll test
commit
|
commitdiff
|
tree
2011-11-28
Roland
S
chulz
Fix FFTW API usage
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge remote-trackin
g
b
r
an
c
h 'gerrit/r
e
lea
s
e-4-5-patc
h
es
.
.
.
commit
|
commitdiff
|
tree
2011-11-27
R
o
la
n
d S
c
hulz
Removing Test
B
uild
A
ll te
s
t
commit
|
commitdiff
|
tree
2011-11-25
Roland
S
chulz
Cleaning up so
m
e b
a
d
c
oding practices
commit
|
commitdiff
|
tree
2011-11-24
Roland Schulz
I
ni
t
ialize
v
a
riables to m
a
ke GCC 4
.
6
n
ot compla
i
n
commit
|
commitdiff
|
tree
2011-11-24
Mark Abraham
O
nly analyse angle
transitions for
d
ihe
d
ra
l
angles
commit
|
commitdiff
|
tree
2011-11-24
M
ark Ab
r
aha
m
Added pr
o
tect
i
ve prepr
o
c
e
ssor directives
commit
|
commitdiff
|
tree
2011-11-23
Roland Schulz
Added
an option
t
o e
a
sil
y
compil
e
contri
b
pro
g
r
a
ms
.
.
.
commit
|
commitdiff
|
tree
2011-10-14
Roland Schulz
c
all to
gmx
_
mt
o
p_gene
r
ate_local_top is only required
.
.
.
commit
|
commitdiff
|
tree
2011-10-11
Alexey
Shvetsov
U
p
date
d
grompp
.
m
dp
for tutor/water
commit
|
commitdiff
|
tree
2011-10-11
Rolan
d
Sch
u
l
z
Fixes MPI
_
GROUP_
E
MPT
Y
for tMPI
commit
|
commitdiff
|
tree
2011-10-05
Ro
l
and
S
chulz
Onl
y
create g
r
oup if part of load communicator
and
.
.
.
commit
|
commitdiff
|
tree
2011-08-10
R
ola
n
d
Sch
u
lz
M
ake
s
ure th
a
t ftell
w
or
k
s cor
r
ectly for
files
o
pened
.
.
.
commit
|
commitdiff
|
tree
2011-05-15
R
oland
Schulz
corrected typo: if(errno=EIN
V
AL)
commit
|
commitdiff
|
tree
2010-11-08
R
o
land
S
chul
z
ma
k
ing error message for vmdio
clearer (bug 598)
commit
|
commitdiff
|
tree
2010-11-04
Roland S
c
hulz
print mor
e
i
n
f
o
rmati
o
n
i
n case of lo
c
k error
commit
|
commitdiff
|
tree
2010-10-13
Roland Schul
z
m
a
k
e
sure that the M
A
NPATH is not set to only GMXMANPATH
commit
|
commitdiff
|
tree
2010-10-11
Roland Sc
h
ulz
fixed spelling
commit
|
commitdiff
|
tree
2010-10-08
Roland Schulz
fixed locking of
l
og file - brok
e
n b
y
d750b9ce
commit
|
commitdiff
|
tree
2010-10-07
Roland
Schulz
a
d
ded a comme
n
t about as
s
umptions of aligned
m
emory
commit
|
commitdiff
|
tree
2010-10-04
Rolan
d
Schul
z
fix broken check for dlopen (by Christoph Junghan
s
.
.
.
commit
|
commitdiff
|
tree
2010-10-01
Roland Sch
u
lz
fix FF
T
W3 interface
f
o
r non aligned mem
o
ry
commit
|
commitdiff
|
tree
2010-09-27
Rola
n
d Schulz
inc
l
u
d
e "error
.
h" was not necc
e
ssary and caused
p
roblems
.
.
.
commit
|
commitdiff
|
tree
2010-09-26
Roland Schulz
1) gm
x
_fio_seek was n
o
t
returning correct ret
u
rn
v
alue
.
.
.
commit
|
commitdiff
|
tree
2010-09-19
Rola
n
d
Sch
u
l
z
fi
x
ed box vector read
i
n
vmdio
commit
|
commitdiff
|
tree
2010-08-26
Roland
S
chul
z
Revert "Parenthesis
a
round compa
r
isons
a
n
d no <= or
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
R
o
land Schulz
fix logic
t
o convert GM
X
_
I
NT
E
GER_BIG
_
EN
D
I
AN to AR
C
H_IS_BIG_
E
.
.
.
commit
|
commitdiff
|
tree
2010-08-27
Rolan
d
Sc
h
ulz
P
arenth
e
sis
a
round comparisons an
d
no <= or
>
= for
x
l
c
commit
|
commitdiff
|
tree
2010-08-17
Roland Schulz
Use alwa
y
s D
I
R_SE
P
ARATOR
commit
|
commitdiff
|
tree
2010-08-17
Roland
S
chulz
F
i
x t
w
o Windows futil bugs:
commit
|
commitdiff
|
tree
2010-08-17
Rol
a
n
d
Schulz
fixed spelling
m
i
stake int
r
oduced
b
y 303
d
454
3
commit
|
commitdiff
|
tree
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