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Quotes from Gottingen workshop
2017-05-27
M
ark
A
braha
m
Quotes fr
o
m Gotti
n
gen
w
o
r
kshop
commit
|
commitdiff
|
tree
2017-05-15
Mark
Abraham
Updated use
o
f c
o
mpiler
s
pe
c
ifiers in te
s
ting
commit
|
commitdiff
|
tree
2017-05-15
Ma
r
k
Ab
r
aham
Up
d
a
t
e clang s
t
atic analyzer slave to use v
e
rsion
4
commit
|
commitdiff
|
tree
2017-05-14
Mark Abraham
U
pdate clan
g
-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Merge
bra
n
ch re
l
e
ase-2016
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Cleaned up memory usage in
g
mx tra
j
and trj
c
onv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Clean up
memory usage with oenv and xvg writing
commit
|
commitdiff
|
tree
2017-04-17
Mark A
b
raham
Minor ch
a
n
ge
to
G
PU compat
i
bili
t
y rep
o
r
t
ing
h
an
d
ling
commit
|
commitdiff
|
tree
2017-04-17
Mark Ab
r
aham
Propose a post-submit
matrix
commit
|
commitdiff
|
tree
2017-04-03
Mark
A
braham
Remove
d
o_pbc_first
commit
|
commitdiff
|
tree
2017-03-31
Mark Abr
a
ham
Merge branc
h
release-20
1
6
commit
|
commitdiff
|
tree
2017-03-29
Mark Abrah
a
m
Fix parameter
d
e
s
cri
p
tion fo
r
dihed
r
al_restrai
n
t
s
commit
|
commitdiff
|
tree
2017-03-22
Mark Abraham
Add section t
o
user g
u
ide
f
or
manag
i
n
g
simulations
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
F
ix string hand
l
ing for gcc 7
commit
|
commitdiff
|
tree
2017-03-14
M
ark Abraham
M
e
rge br
a
nch
r
elease-2016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bu
m
ped version to prepare for next pat
c
h
rele
a
se
commit
|
commitdiff
|
tree
2017-03-13
M
a
r
k
Ab
r
aham
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Ab
r
aham
M
odernize write_inpfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abr
a
h
am
Modernize read_i
n
pfile
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
Tests for grompp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Mark Abr
a
ham
Refactor GPU s
e
lection
h
a
n
dli
n
g
commit
|
commitdiff
|
tree
2017-03-07
Ma
r
k Abraham
Fix minor i
s
sues in gmx traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
M
ark
Abraham
Fixe
s
for xl compiler
s
1
3
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-20
Mark Abr
a
h
am
Add tests for old
g
m
x
ene
r
g
y
funct
i
o
n
ality
commit
|
commitdiff
|
tree
2017-02-17
M
a
rk Abraham
Use
g
mx::Mutex an
d
gmx::loc
k
_
g
u
ard to fix some i
s
sues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraham
Merge branc
h
release-5-1 into rele
a
se-20
1
6
commit
|
commitdiff
|
tree
2017-02-14
Mark Abraham
Fix handl
i
ng of previous virials
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
r
a
ham
Reduce compilation cou
p
ling
commit
|
commitdiff
|
tree
2017-02-10
Ma
r
k Abraham
Corrected output of gmx do_
d
ss
p
-sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Complet
e
the remo
v
al of state
f
ul RNG
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
Abraham
Impr
o
ved state_
c
han
g
e_
n
a
tom
s
and
u
sed i
t
more
commit
|
commitdiff
|
tree
2017-02-09
M
ark Abra
h
am
Remove EST_DIST
R
from state
.
h
commit
|
commitdiff
|
tree
2017-02-09
M
a
rk
A
braham
E
nhance warninp
commit
|
commitdiff
|
tree
2017-02-08
Mark A
b
raham
Exten
d
seri
a
liz
a
tion
to
g
mx
_
int64_
t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abra
h
am
Remove
d
ocs for unimplemen
t
ed trjconv -clu
s
t
e
rcenter
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Create
applied-forces
m
odule gro
u
p
commit
|
commitdiff
|
tree
2017-02-08
Mark Abr
a
h
am
Give MDModules
responsibility
f
o
r opt
i
on handling
commit
|
commitdiff
|
tree
2017-02-07
Ma
r
k
Abraham
M
e
rg
e
bran
c
h release-201
6
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Bumped version
to prepare for
next
p
a
tch release
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Intr
o
duced system prepara
t
ion
s
ection
t
o user gui
d
e
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Ve
r
sion
2
016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Abraham
Merg
e
branch release-5-1
in
t
o release-2
0
16
commit
|
commitdiff
|
tree
2017-02-03
Mark Abraham
Remove type
d
ef
struct in some
mdtyp
e
s files
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
Cl
a
r
ify use of tau-
p
an
d
pcoup
l
type
commit
|
commitdiff
|
tree
2017-01-31
M
ar
k
Abrah
a
m
Merge bra
n
ch r
e
le
a
se-5-1 into release-201
6
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix
m
ult
i
-do
m
ain
reruns
commit
|
commitdiff
|
tree
2017-01-30
Ma
r
k Ab
r
a
h
am
Don't p
r
int invalid performance data
commit
|
commitdiff
|
tree
2017-01-23
Mark
A
br
a
ham
Stopped h
e
ader fi
l
es in
c
l
u
ding state
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
F
ixed g
m
x rm
s
f
-
q
-
oq
.
commit
|
commitdiff
|
tree
2017-01-21
Ma
r
k Abraham
Removed init
_
state
commit
|
commitdiff
|
tree
2017-01-20
Mark Abr
a
ham
I
nit
i
a
li
z
e GMX_*_LIBRARIES cmake
variables earli
e
r
commit
|
commitdiff
|
tree
2017-01-14
Mark Abraham
Mer
g
e branc
h
release-2016
commit
|
commitdiff
|
tree
2017-01-06
Mark Abraham
Document ISerializer class
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Stop trying to use objdump --reloc on Mac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraha
m
Fix
d
ocumentation o
f
Op
t
ionsVisit
o
r
commit
|
commitdiff
|
tree
2017-01-03
Mark Abraham
Me
r
ge branch release-5
-
1
into release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
C
o
rrected d
o
c
umentation about eigenvalue
hand
l
i
ng
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Improve build system fo
r
pl
u
gin support
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Sanitize some
i
nclude
h
eaders
commit
|
commitdiff
|
tree
2016-12-20
Mark
Abraham
M
e
rge branch rel
e
ase-2016
commit
|
commitdiff
|
tree
2016-12-15
M
ark Ab
r
aham
Removed su
p
por
t
for multiple entries
in
m
dp files
commit
|
commitdiff
|
tree
2016-12-15
Mark Abraham
Handl
e
warninp corre
c
tly in xp
m
2p
s
a
n
d
membe
d
commit
|
commitdiff
|
tree
2016-12-14
Mar
k
Abraham
Fix mi
s
leading pa
r
a
l
l
e
lizat
i
on docs for gm
x
w
ha
m
commit
|
commitdiff
|
tree
2016-12-09
M
a
rk Abraham
Fix logic
of TRR read
i
ng
commit
|
commitdiff
|
tree
2016-12-09
Mark Abraham
Remove n
x
fram
e
f
r
om t_trxs
t
atus
commit
|
commitdiff
|
tree
2016-12-08
Mark Ab
r
aha
m
C
o
nsolidate files su
p
porting TNG file
I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abrah
a
m
Merge branch release-20
1
6
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Fix
memory
h
andling
in
g
m
x dum
p
of TNG files
commit
|
commitdiff
|
tree
2016-12-05
Mark Abraham
Remove undue n
a
rr
o
wing of
integer in T
N
G
r
eading
commit
|
commitdiff
|
tree
2016-12-01
M
a
r
k A
b
rah
a
m
A
d
d
I
NSTAL
L
-dev to aid people
d
oing un
u
sual
builds
commit
|
commitdiff
|
tree
2016-12-01
Mark
A
b
raham
Fix minor
t
rjconv
b
ug
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraham
S
t
o
p
including tng
_
i
o
_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
En
h
anced A
r
rayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
braham
C
r
eate
d
paddedvector
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark A
b
raham
Remove un
i
m
p
lem
e
n
t
ed gmx
trjcat -vel
commit
|
commitdiff
|
tree
2016-10-31
Mar
k
Abraham
Merge branch rele
a
se-2016
commit
|
commitdiff
|
tree
2016-10-31
M
a
rk Abraham
Merg
e
br
a
nch
r
e
l
ea
s
e
-2
0
16
commit
|
commitdiff
|
tree
2016-10-28
M
a
r
k
A
bra
h
am
B
umped version
to prepa
r
e for
next patch rel
e
ase
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Ve
r
sion
2
016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Ma
r
k Ab
r
aham
Update install guide
commit
|
commitdiff
|
tree
2016-10-21
Mark Abraham
Upd
a
t
e cppc
h
ec
k
sup
p
or
t
to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark
Abraham
Upgrade coverage matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abraham
Fix S
I
MD su
g
gestion fo
r
VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abra
h
am
Make regressi
o
ntests up
d
ater
build work
f
or master
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Ma
r
k Abraham
U
pdate for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark Ab
r
aha
m
Merge "Merge br
a
nch release-2016"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraham
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2016-10-07
Mark Abra
h
am
A
d
d
scr
i
pt for Jenki
n
s
regressiontest u
p
dat
e
job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
M
e
rge
b
ranch release-5-1 into
r
elease-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Replace use of de
p
recated readdir_r
commit
|
commitdiff
|
tree
2016-09-12
Mark Abr
a
ham
Pre
l
imin
a
ry clean up
o
f NVML code
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
Abraham
M
e
rge
b
ran
c
h release-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
Bumped patch number to prepare for future
5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
M
ark Abraham
Vers
i
on 5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed HIS1 fro
m
o
p
lsaa and ch
a
rmm de
f
initi
o
ns
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Fix
LYN charges in amber03
commit
|
commitdiff
|
tree
2016-09-07
Mark
A
brah
a
m
Fix
a
mber03
H
IP char
g
es
commit
|
commitdiff
|
tree
2016-09-06
Mark Abraham
Work around glibc 2
.
2
3
with CUD
A
commit
|
commitdiff
|
tree
2016-08-27
Mar
k
Ab
r
aham
S
t
op
using g
m
x_fatal in gro
m
pp
commit
|
commitdiff
|
tree
2016-08-24
M
a
rk Abrah
a
m
R
e
move
h
acks for
outdated BlueGene
s
upport
commit
|
commitdiff
|
tree
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