发明名称 |
Computing inter-atom forces between atoms in a protein |
摘要 |
One embodiment of the present invention sets forth a technique for efficiently performing N-body computations using parallel computation systems. The technique involves a first processing step whereby a force matrix is partitioned into tiles, which are assigned to a one or more thread groups for processing. An off-diagonal tile may be aligned to include no diagonal cells, while an on-diagonal tile includes diagonal cells. One approach for computing either type of tile involves assigning each row from a tile to a thread within a thread group. Each thread operates on an offset pattern to avoid access conflicts to a shared memory. A net force for each atom within an N-body system is then computed by efficiently adding constituent forces stored within the force matrix using reduction operations on the force matrix. |
申请公布号 |
US8219371(B1) |
申请公布日期 |
2012.07.10 |
申请号 |
US20080340460 |
申请日期 |
2008.12.19 |
申请人 |
LE GRAND SCOTT;NVIDIA CORPORATION |
发明人 |
LE GRAND SCOTT |
分类号 |
G06G7/58;G01N33/48;G06F7/60;G06F17/00 |
主分类号 |
G06G7/58 |
代理机构 |
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代理人 |
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主权项 |
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地址 |
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