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Minor change to GPU compatibility reporting handling
2017-04-17
Mark Abrah
a
m
M
i
nor cha
n
ge
t
o G
P
U
compatibility
r
e
p
or
t
ing handl
i
ng
commit
|
commitdiff
|
tree
2017-04-03
Mark Abraham
Remo
v
e
do_pbc_f
i
rst
commit
|
commitdiff
|
tree
2017-03-31
M
a
rk Abraham
M
erge branch r
e
lease-2016
commit
|
commitdiff
|
tree
2017-03-29
M
a
rk Abraham
Fix parameter des
c
ription for
d
ihedral_restraints
commit
|
commitdiff
|
tree
2017-03-22
Mar
k
A
bra
h
am
Ad
d
section
to
user guide for manag
i
ng simulati
o
n
s
commit
|
commitdiff
|
tree
2017-03-19
Mark A
b
raham
F
i
x
st
r
ing han
d
li
n
g
for gc
c
7
commit
|
commitdiff
|
tree
2017-03-14
Mark Ab
r
a
ham
Me
r
ge branch release-20
1
6
commit
|
commitdiff
|
tree
2017-03-14
Mark Abraham
Bumped
v
ersion
t
o
prepar
e
for next pa
t
ch release
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Ver
s
ion
2016
.
3
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraham
Modernize write_inp
f
i
l
e
commit
|
commitdiff
|
tree
2017-03-13
Mark Abraha
m
Modernize re
a
d_inpf
i
le
commit
|
commitdiff
|
tree
2017-03-13
Mark Abrah
a
m
T
est
s
f
o
r
g
ro
m
pp -f -po
commit
|
commitdiff
|
tree
2017-03-09
Ma
r
k Abraham
Refac
t
or GPU selectio
n
ha
n
dling
commit
|
commitdiff
|
tree
2017-03-07
Mark A
b
raham
Fix minor iss
u
es i
n
gmx traj -av -af
commit
|
commitdiff
|
tree
2017-03-04
M
ark Abraham
Fixes for xl
c
ompilers 13
.
1
.
5 on Power8
commit
|
commitdiff
|
tree
2017-02-20
M
a
rk Abraham
Add tests for o
l
d gmx
ene
r
g
y
f
u
n
ctionalit
y
commit
|
commitdiff
|
tree
2017-02-17
M
ar
k
Abraham
Use gmx
:
:Mutex an
d
gmx:
:
l
oc
k
_guard to fix
s
ome
i
ssues
commit
|
commitdiff
|
tree
2017-02-15
Mark Abraha
m
Merge branch release-5-1 into
r
elea
s
e-2016
commit
|
commitdiff
|
tree
2017-02-14
Mark
A
b
r
aham
Fi
x
handling of
p
r
e
vious virials
commit
|
commitdiff
|
tree
2017-02-14
Ma
r
k Abraham
Reduce
c
ompila
t
ion coupling
commit
|
commitdiff
|
tree
2017-02-10
Mark Abraha
m
Corrected output of g
m
x do_
d
s
s
p -sc
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraham
Co
m
plete the remo
v
al of s
t
ateful RNG
commit
|
commitdiff
|
tree
2017-02-09
Mark Abraha
m
Impr
o
ved sta
t
e_change_natoms a
n
d used it more
commit
|
commitdiff
|
tree
2017-02-09
Mark Abrah
a
m
R
e
move EST_DISTR from sta
t
e
.
h
commit
|
commitdiff
|
tree
2017-02-09
Mark Ab
r
a
ham
E
nha
n
ce warninp
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Extend s
e
ri
a
lization to
gmx_int64_t
commit
|
commitdiff
|
tree
2017-02-08
Mark Abraham
Rem
o
ve docs f
o
r
unim
p
lement
e
d t
r
jconv -clustercenter
commit
|
commitdiff
|
tree
2017-02-08
Mar
k
Abra
h
am
Create applied-forces mo
d
ule
g
roup
commit
|
commitdiff
|
tree
2017-02-08
M
ark Abraha
m
Give MDMod
u
les responsibility f
o
r
option handling
commit
|
commitdiff
|
tree
2017-02-07
M
ark Abraha
m
Merge branch
r
elease-2016
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Bum
p
ed version t
o
prepa
r
e for n
e
x
t
p
a
tch rele
a
se
commit
|
commitdiff
|
tree
2017-02-07
Mark Abraham
Introduc
e
d system preparation
s
ec
t
io
n
to us
e
r guide
commit
|
commitdiff
|
tree
2017-02-07
Mark
A
bra
h
am
Version 2016
.
2
commit
|
commitdiff
|
tree
2017-02-05
Mark Ab
r
a
ham
Merge
b
ranch rele
a
se-5-1 into release-2016
commit
|
commitdiff
|
tree
2017-02-03
Mark
A
braham
Remo
v
e ty
p
edef
struct
i
n some md
t
y
p
es
f
iles
commit
|
commitdiff
|
tree
2017-02-02
Mark Abraham
Cl
a
rify use
of tau
-
p and pcoupl
t
ype
commit
|
commitdiff
|
tree
2017-01-31
Mark
Abr
a
ham
Merge
b
ranch releas
e
-5-1 into release
-
2016
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Fix mu
l
ti-domain reruns
commit
|
commitdiff
|
tree
2017-01-30
Mark Abraham
Don't prin
t
invali
d
performance dat
a
commit
|
commitdiff
|
tree
2017-01-23
Mark Abraham
Stopped hea
d
er fi
l
e
s
inc
l
uding st
a
te
.
h
commit
|
commitdiff
|
tree
2017-01-22
Mark Abraham
Fi
x
ed gm
x
rmsf
-q -oq
.
commit
|
commitdiff
|
tree
2017-01-21
M
ark Ab
r
aham
Remov
e
d init_state
commit
|
commitdiff
|
tree
2017-01-20
Mark Abr
a
h
a
m
I
n
i
t
i
alize GMX_
*
_L
I
BRARIE
S
cmake va
r
iables earlier
commit
|
commitdiff
|
tree
2017-01-14
Mark Abra
h
am
Merge branch release-2016
commit
|
commitdiff
|
tree
2017-01-06
M
a
rk A
b
raham
Document ISeri
a
lizer
c
lass
commit
|
commitdiff
|
tree
2017-01-04
M
ark Abraham
Stop trying to use objdump --reloc on Ma
c
commit
|
commitdiff
|
tree
2017-01-04
M
ark Ab
r
aha
m
Fix documentation of OptionsVis
i
t
or
commit
|
commitdiff
|
tree
2017-01-03
M
ark
Abr
a
ham
Me
r
ge
b
r
anch release
-
5-1 into release-2016
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Corrected d
o
cume
n
tation
about eigenvalue handling
commit
|
commitdiff
|
tree
2016-12-20
Mark Abraham
Improve build system for plug
i
n
support
commit
|
commitdiff
|
tree
2016-12-20
M
a
rk Abraham
Sanitize s
o
m
e include headers
commit
|
commitdiff
|
tree
2016-12-20
Mark A
b
raham
M
erge branch release-2016
commit
|
commitdiff
|
tree
2016-12-15
M
ark Abraham
Removed suppor
t
for mul
t
ipl
e
entries in m
d
p
f
i
les
commit
|
commitdiff
|
tree
2016-12-15
Mark Abr
a
ham
Handle warninp co
r
rectly in
x
pm2ps and membed
commit
|
commitdiff
|
tree
2016-12-14
Ma
r
k Abraham
Fix misle
a
ding pa
r
all
e
li
z
a
tio
n
d
o
cs for gmx wham
commit
|
commitdiff
|
tree
2016-12-09
Ma
r
k Ab
r
aham
F
i
x logic of TRR
r
eading
commit
|
commitdiff
|
tree
2016-12-09
M
ark Abraham
Remove nxframe from t_trxstatus
commit
|
commitdiff
|
tree
2016-12-08
Mark A
b
r
aham
Conso
l
ida
t
e files supporting TNG file I/O
commit
|
commitdiff
|
tree
2016-12-07
Mark Abraham
Me
r
ge
br
a
nc
h
r
elease-
2
0
16
commit
|
commitdiff
|
tree
2016-12-07
M
a
rk
Abraham
Fi
x
memory handling in gmx
d
ump of
T
NG
f
i
l
es
commit
|
commitdiff
|
tree
2016-12-05
Mark
A
br
a
ham
Remo
v
e undue narrowing of integer in TNG reading
commit
|
commitdiff
|
tree
2016-12-01
Mar
k
Abraham
Add INSTALL-dev to
a
id
people doing
u
nusual builds
commit
|
commitdiff
|
tree
2016-12-01
Mark A
b
raham
Fix mi
n
or trj
c
onv
bug
commit
|
commitdiff
|
tree
2016-11-23
Mark Abraham
Stop including tng_
i
o_fwd
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Ab
r
aham
Enhanced ArrayRef
commit
|
commitdiff
|
tree
2016-11-16
Mark
A
braham
Created
padded
v
ec
t
o
r
.
h
commit
|
commitdiff
|
tree
2016-11-16
Mark Ab
r
aham
Remove
un
i
mpl
e
ment
e
d gmx t
r
j
cat -
v
el
commit
|
commitdiff
|
tree
2016-10-31
Mark Abraha
m
Merge bran
c
h
r
elease-2016
commit
|
commitdiff
|
tree
2016-10-31
Mark
A
braham
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-10-28
Mar
k
Abraham
Bumped versi
o
n to prepare for next patch rel
e
ase
commit
|
commitdiff
|
tree
2016-10-28
Mark Abraham
Version
2
016
.
1
commit
|
commitdiff
|
tree
2016-10-21
Mark Ab
r
aham
Up
d
ate install
guide
commit
|
commitdiff
|
tree
2016-10-21
M
a
rk
Abraham
Updat
e
cp
p
check support t
o
1
.
76
.
1
commit
|
commitdiff
|
tree
2016-10-19
Mark Abr
a
h
a
m
Upgrad
e
cov
e
rage ma
t
rix
.
commit
|
commitdiff
|
tree
2016-10-18
Mark Abraham
F
i
x SIMD sugges
t
ion for VMX
commit
|
commitdiff
|
tree
2016-10-12
M
a
rk Abraham
M
a
ke
regressiontests u
p
da
t
er
build
wo
r
k for maste
r
.
.
.
commit
|
commitdiff
|
tree
2016-10-11
M
a
rk Abrah
a
m
Update for FF
T
W 3
.
3
.
5
commit
|
commitdiff
|
tree
2016-10-10
Mark
A
braham
M
e
rge "Me
r
ge
b
r
a
n
c
h relea
s
e-2016"
commit
|
commitdiff
|
tree
2016-10-09
Mark A
b
rah
a
m
Merge branch release-2016
commit
|
commitdiff
|
tree
2016-10-07
Mark Abra
h
a
m
Add script for
J
enki
n
s regres
s
ionte
s
t update
j
o
b
commit
|
commitdiff
|
tree
2016-10-03
Ma
r
k
Abra
h
am
M
e
r
ge b
r
anch re
l
ease-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-10-03
Mark
A
b
r
aham
Repl
a
ce
use of deprecated readdir_r
commit
|
commitdiff
|
tree
2016-09-12
M
a
r
k Abraham
Prelimi
n
ary cle
a
n up
o
f
NVML cod
e
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
A
braham
Merge branch
r
el
e
ase-5-1
into release-2016
commit
|
commitdiff
|
tree
2016-09-08
Mar
k
Abraham
B
u
mped patch number to
p
r
e
pare for future 5
.
1
.
5 release
commit
|
commitdiff
|
tree
2016-09-07
Ma
r
k Abraham
Version
5
.
1
.
4
commit
|
commitdiff
|
tree
2016-09-07
Mark Abraham
Removed
H
I
S
1 from op
l
saa and cha
r
mm defini
t
ions
commit
|
commitdiff
|
tree
2016-09-07
M
a
rk Abraham
Fix LYN charges in
a
mber03
commit
|
commitdiff
|
tree
2016-09-07
Mar
k
Abra
h
am
F
i
x amber03
H
IP
charges
commit
|
commitdiff
|
tree
2016-09-06
Ma
r
k Abraham
W
ork
a
round g
l
ibc 2
.
23 with
C
UDA
commit
|
commitdiff
|
tree
2016-08-27
Mar
k
Abraham
Stop usin
g
gm
x
_fatal in grompp
commit
|
commitdiff
|
tree
2016-08-24
Mark Abraham
Remo
v
e hac
k
s
f
or outdated BlueGen
e
suppo
r
t
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
Merge branch re
l
e
ase-2016
commit
|
commitdiff
|
tree
2016-08-15
Mark Abraham
F
ixes
for
BG/
Q
platform fi
l
e
s
a
nd i
n
stall guide
commit
|
commitdiff
|
tree
2016-08-12
Mark Abra
h
a
m
Bum
p
n
u
m
b
e
r
to prepar
e
for f
i
rst
patch release
commit
|
commitdiff
|
tree
2016-08-04
Mark Ab
r
aham
Ve
r
sion 2016
commit
|
commitdiff
|
tree
2016-07-29
Mark
Abraham
Impr
o
ve handlin
g
of gmock and gcc6
commit
|
commitdiff
|
tree
2016-07-29
Mark Abraham
Merge branc
h
release-5-
1
into release
-
2016
commit
|
commitdiff
|
tree
2016-07-28
Mark A
b
raham
Add tool
c
hain flags f
o
r SS
E
2
c
o
m
pilation
commit
|
commitdiff
|
tree
2016-07-21
Mark A
b
raham
Bu
m
ped patch number to prepare for futu
r
e 5
.
1
.
4 re
l
eas
e
commit
|
commitdiff
|
tree
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