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tsoc
openmm
Commits
b7119534
Commit
b7119534
authored
Oct 13, 2011
by
Peter Eastman
Browse files
Bug fix to OpenCL RPMD
parent
49e268f1
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1
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plugins/rpmd/platforms/opencl/src/kernels/rpmd.cl
plugins/rpmd/platforms/opencl/src/kernels/rpmd.cl
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plugins/rpmd/platforms/opencl/src/kernels/rpmd.cl
View file @
b7119534
...
...
@@ -35,7 +35,7 @@ __kernel void applyPileThermostat(__global float4* velm, __local float4* v, __lo
if
(
get_local_id
(
0
)
<
NUM_COPIES
)
w[indexInBlock]
=
(
float2
)
(
cos
(
-indexInBlock*2*M_PI/NUM_COPIES
)
,
sin
(
-indexInBlock*2*M_PI/NUM_COPIES
))
;
barrier
(
CLK_LOCAL_MEM_FENCE
)
;
randomIndex
+=
blockStart
;
randomIndex
+=
NUM_COPIES*
(
get_global_id
(
0
)
/NUM_COPIES
)
;
for
(
int
particle
=
get_global_id
(
0
)
/NUM_COPIES
; particle < NUM_ATOMS; particle += numBlocks) {
float4
particleVelm
=
velm[particle+indexInBlock*PADDED_NUM_ATOMS]
;
float
invMass
=
particleVelm.w
;
...
...
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