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Fix FindCUDA.cmake for -Wundef
2017-06-14
Mark
A
br
a
ha
m
Simplify reporting f
r
om init_g
p
u
commit
|
commitdiff
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tree
2017-06-12
Mark Abraha
m
Move gm
x
_parse_g
p
u_id out of che
c
kin
g
func
t
i
o
n
commit
|
commitdiff
|
tree
2017-05-31
Mark Abraha
m
New quote
commit
|
commitdiff
|
tree
2017-05-30
M
a
rk Abrah
a
m
Fix NVML error m
e
ssages
commit
|
commitdiff
|
tree
2017-05-27
Mark
Abraham
Quotes from Gottingen workshop
commit
|
commitdiff
|
tree
2017-05-26
Mark Abraham
Test invsi
x
throot funct
i
on
as intende
d
commit
|
commitdiff
|
tree
2017-05-15
Mark Ab
r
aha
m
U
pdated u
s
e of compiler specifie
r
s
in testing
commit
|
commitdiff
|
tree
2017-05-15
Mark Abraham
Updated us
e
o
f gcc-5 spec
i
fier
s
commit
|
commitdiff
|
tree
2017-05-15
Mark Abra
h
am
Upda
t
e clang static analyzer slave to use version 4
commit
|
commitdiff
|
tree
2017-05-14
Mark
Abraham
Updat
e
c
l
an
g
-4
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
Fix
formatti
n
g o
f
MKL cma
k
e docs
commit
|
commitdiff
|
tree
2017-05-09
Mark Abraham
M
erge bran
c
h release-2016
commit
|
commitdiff
|
tree
2017-05-09
M
ark
Abr
a
ham
C
leaned up memor
y
u
s
age in gmx traj and t
r
j
c
onv
commit
|
commitdiff
|
tree
2017-04-22
Mark Abraham
Cl
e
an up memo
r
y usage with oe
n
v
a
nd
xvg writing
commit
|
commitdiff
|
tree
2017-04-17
M
ark Abra
h
am
Minor change to G
P
U com
p
atibility reporting h
a
ndling
commit
|
commitdiff
|
tree
2017-04-17
Mark Abr
a
ha
m
Prop
o
se a po
s
t-sub
m
it matrix
commit
|
commitdiff
|
tree
2017-04-03
Mark
A
br
a
ham
Remove do_pbc
_
f
irst
commit
|
commitdiff
|
tree
2017-03-31
M
a
rk
A
braham
Merge
b
ranch
r
el
e
as
e
-2016
commit
|
commitdiff
|
tree
2017-03-29
Mark Abraham
Fix par
a
meter descr
i
p
tion for dihed
r
al_re
s
trai
n
ts
commit
|
commitdiff
|
tree
2017-03-22
M
a
rk Abra
h
am
Add
s
e
cti
o
n to us
e
r
g
uide for managin
g
simulations
commit
|
commitdiff
|
tree
2017-03-19
Mark Abraham
Fix
s
tring
handling
f
o
r
g
cc 7
commit
|
commitdiff
|
tree
2017-03-14
Ma
r
k Abraha
m
Merge branc
h
release
-
2
016
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bum
p
e
d
version to prepare f
o
r next patch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraha
m
Version 2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modernize
write_inpfile
commit
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commitdiff
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tree
2017-03-13
Mark Abraham
M
o
dernize read_in
p
file
commit
|
commitdiff
|
tree
2017-03-13
Ma
r
k
Ab
r
a
ham
Tests for grompp -f -po
commit
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commitdiff
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tree
2017-03-09
M
a
rk Abraham
R
e
factor GPU selection handling
commit
|
commitdiff
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tree
2017-03-07
Mark A
b
raham
Fi
x
minor i
s
s
ues
in gmx traj -a
v
-af
commit
|
commitdiff
|
tree
2017-03-04
Mark
Abraham
Fixes for xl compilers 13
.
1
.
5 on Power8
commit
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commitdiff
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tree
2017-02-20
Mar
k
Abraha
m
Add tests for old gmx energy funct
i
onal
i
t
y
commit
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commitdiff
|
tree
2017-02-17
Mark
A
b
r
aham
Use
g
mx::Mutex and gmx
:
:lock_
g
uard to fix
s
o
me issues
commit
|
commitdiff
|
tree
2017-02-15
M
a
rk Abraham
Merge bran
c
h release-
5
-1
i
nto release-2016
commit
|
commitdiff
|
tree
2017-02-14
Mar
k
Abra
h
am
Fix handl
i
ng o
f
p
re
v
ious vir
i
a
l
s
commit
|
commitdiff
|
tree
2017-02-14
Mark A
b
ra
h
am
Reduce
c
ompilation coupling
commit
|
commitdiff
|
tree
2017-02-10
M
ark A
b
raham
Correct
e
d output
of gmx do_dssp -
s
c
commit
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commitdiff
|
tree
2017-02-09
Mark Abraham
Complete the rem
o
val of stateful RNG
commit
|
commitdiff
|
tree
2017-02-09
Mar
k
A
b
rah
a
m
Im
p
roved sta
t
e_change
_
natoms and used it more
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraha
m
Remov
e
EST_DISTR from
state
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Abrah
a
m
Enhance warnin
p
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abraham
Extend serialization to gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Remo
v
e docs for
unimplemente
d
trjconv -clustercente
r
commit
|
commitdiff
|
tree
2017-02-08
M
a
r
k
Abraham
Create applied-forces mo
d
u
l
e gr
o
up
commit
|
commitdiff
|
tree
2017-02-08
Mark
Abra
h
am
G
ive MDModules respo
n
s
ibility for
o
ption hand
l
i
n
g
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark
Abraham
Bumpe
d
versi
o
n to prep
a
re
for
n
ext patch
r
elease
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Intr
o
duced
s
ystem prepara
t
ion s
e
ction to
u
ser guide
commit
|
commitdiff
|
tree
2017-02-07
Mark
Abra
h
am
Version 20
1
6
.
2
commit
|
commitdiff
|
tree
2017-02-05
M
ark Abr
a
h
am
M
e
rge branch release-5-1 into relea
s
e-2
0
16
commit
|
commitdiff
|
tree
2017-02-03
Mark
A
br
a
ham
R
e
move
typedef
s
truc
t
in some mdtyp
e
s files
commit
|
commitdiff
|
tree
2017-02-02
Ma
r
k Abraham
C
l
arify u
s
e of
tau-p and pcoup
l
typ
e
commit
|
commitdiff
|
tree
2017-01-31
Mark
A
braham
Merge branch rel
e
a
s
e-5-1 in
t
o release-
2
01
6
commit
|
commitdiff
|
tree
2017-01-30
Mark Abrah
a
m
Fix mul
t
i-d
o
m
a
in
r
e
runs
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don't print invalid perform
a
nce data
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
S
t
opped hea
d
e
r
f
iles i
n
clu
d
ing st
a
te
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abr
a
h
a
m
Fixed gmx
rm
s
f -q -
o
q
.
commit
|
commitdiff
|
tree
2017-01-21
Mark Abraha
m
Rem
o
ved ini
t
_state
commit
|
commitdiff
|
tree
2017-01-20
Mar
k
Abrah
a
m
Initialize
G
MX_*_LIBRA
R
IES
c
mak
e
variables
ea
r
lier
commit
|
commitdiff
|
tree
2017-01-14
Ma
r
k Abr
a
ham
Me
r
g
e branc
h
release-2016
commit
|
commitdiff
|
tree
2017-01-06
Ma
r
k Abraham
Doc
u
ment ISerializer class
commit
|
commitdiff
|
tree
2017-01-04
M
a
rk Ab
r
aham
S
top try
i
ng to use objdump --relo
c
on
M
ac
commit
|
commitdiff
|
tree
2017-01-04
Mark Abraham
Fix docum
e
ntation of
O
ptionsVisitor
commit
|
commitdiff
|
tree
2017-01-03
Ma
r
k A
b
ra
h
am
Merge branc
h
rele
a
s
e
-5-1
i
nto release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corr
e
c
t
ed do
c
umenta
t
i
on
about eigenvalu
e
handling
commit
|
commitdiff
|
tree
2016-12-20
M
a
r
k
Abr
a
ham
Improve bui
l
d
s
yste
m
for plugin support
commit
|
commitdiff
|
tree
2016-12-20
M
ar
k
Abraham
Sanitize som
e
i
nclude headers
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
M
erge
b
ranch r
e
lea
s
e-2016
commit
|
commitdiff
|
tree
2016-12-15
Mark
A
braham
R
e
moved support for multiple
e
n
tries in
m
dp files
commit
|
commitdiff
|
tree
2016-12-15
Ma
r
k Abraham
H
andle warninp co
r
r
e
ct
l
y in
x
pm2ps and
m
e
m
bed
commit
|
commitdiff
|
tree
2016-12-14
Mark Abraham
F
ix mislead
i
ng paralleli
z
ation do
c
s
f
o
r gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Mark Abr
a
h
a
m
Fix logic of TRR
reading
commit
|
commitdiff
|
tree
2016-12-09
Mark Abr
a
ham
Remove nxframe from t
_
trxstatu
s
commit
|
commitdiff
|
tree
2016-12-08
Ma
r
k
A
b
r
aham
C
o
nso
l
i
date files
s
up
p
orting TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark
A
b
r
a
ham
M
erge branch release
-
2016
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
F
ix memor
y
handling in
g
mx dump o
f
T
N
G files
commit
|
commitdiff
|
tree
2016-12-05
Mark A
b
r
aham
Re
m
o
ve undue
narrowing
o
f
integer in T
N
G rea
d
ing
commit
|
commitdiff
|
tree
2016-12-01
Mark Abraham
Add INSTALL-
d
ev to aid people doing u
n
usu
a
l bu
i
lds
commit
|
commitdiff
|
tree
2016-12-01
Mark
Ab
r
aham
F
i
x minor trj
c
onv bug
commit
|
commitdiff
|
tree
2016-11-23
M
a
rk Abrah
a
m
S
top
i
ncluding
tng_io
_
fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
M
a
r
k Abraham
En
h
a
n
ced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Created
paddedv
e
c
t
o
r
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Abraham
Re
m
ove unimplemented g
m
x trjcat
-
vel
commit
|
commitdiff
|
tree
2016-10-31
Ma
r
k Abraha
m
Merg
e
branch release-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark
Abraham
Merge branch release-201
6
commit
|
commitdiff
|
tree
2016-10-28
Mark A
b
raham
B
ump
e
d version to
prepa
r
e
f
or nex
t
patch release
commit
|
commitdiff
|
tree
2016-10-28
Mark Abr
a
ham
Version
2
016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Abrah
a
m
Update in
s
tall guide
commit
|
commitdiff
|
tree
2016-10-21
Ma
r
k
Abraham
Update cppcheck support to 1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark
Abraham
Upgrad
e
coverage matrix
.
commit
|
commitdiff
|
tree
2016-10-18
Ma
r
k Abraham
F
ix SIMD suggestion for VMX
commit
|
commitdiff
|
tree
2016-10-12
Mark Abraha
m
Make
r
e
gr
e
ssiontests updater bu
i
l
d work f
o
r ma
s
ter
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
Ma
r
k Abraham
Update for FFTW 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mar
k
A
braha
m
Merge "Merge branch
release-20
1
6"
commit
|
commitdiff
|
tree
2016-10-09
Mark Abraham
M
e
rge branch release-2016
commit
|
commitdiff
|
tree
2016-10-07
Mark Abraham
Add script for Jenkins regr
e
ssiontest update job
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Merge branch
releas
e
-
5-
1
into release-
2
016
commit
|
commitdiff
|
tree
2016-10-03
Mark Abraham
Repla
c
e use of de
p
recat
e
d read
d
i
r_r
commit
|
commitdiff
|
tree
2016-09-12
Mark Ab
r
aham
Preliminary clean up of NVML c
o
de
commit
|
commitdiff
|
tree
2016-09-08
Ma
r
k Ab
r
aham
Merge
b
ranch rele
a
se-5-1 into rele
a
se-2016
commit
|
commitdiff
|
tree
2016-09-08
Mark Abraham
Bumped
patch
num
b
er to prepare
f
or future 5
.
1
.
5
rele
a
se
commit
|
commitdiff
|
tree
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