Detailed description |
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I came across the following problems when attempting to compile OpenMM using OpenCL version 1.2. I have many open projects that are currently functioning with version 1.2, so I haven't wanted to downgrade just for OpenMM.
I was receiving compilation errors until I added the line
#define CL_USE_DEPRECATED_OPENCL_1_1_APIS
into the file
../OpenMM4.1.1-Source/platforms/opencl/src/cl.hpp
and it compiled.
However, after running "make test", I came across some problems. I am certain there is something I am doing wrong, but I just wanted to get some input from the experts. :->
"""
62% tests passed, 45 tests failed out of 117
Total Test time (real) = 286.31 sec
The following tests FAILED:
34 - TestOpenCLVirtualSites (SEGFAULT)
37 - TestOpenCLCustomNonbondedForce (Failed)
38 - TestOpenCLCMMotionRemover (SEGFAULT)
39 - TestOpenCLGBSAOBCForce (SEGFAULT)
40 - TestOpenCLLangevinIntegrator (SEGFAULT)
41 - TestOpenCLVariableVerletIntegrator (Failed)
43 - TestOpenCLCustomGBForce (SEGFAULT)
44 - TestOpenCLAndersenThermostat (SEGFAULT)
45 - TestOpenCLBrownianIntegrator (OTHER_FAULT)
50 - TestOpenCLLocalEnergyMinimizer (SEGFAULT)
52 - TestOpenCLNonbondForce2 (SEGFAULT)
53 - TestOpenCLGBSAOBCForce2 (SEGFAULT)
56 - TestOpenCLVerletIntegrator (Failed)
59 - TestOpenCLMonteCarloBarostat (SEGFAULT)
60 - TestOpenCLVariableLangevinIntegrator (OTHER_FAULT)
61 - TestOpenCLNonbondedForce (Failed)
62 - TestOpenCLEwald (SEGFAULT)
63 - TestOpenCLCustomIntegrator (Failed)
67 - TestSerializeFreeEnergyGBVISoftcoreForce (Failed)
68 - TestSerializeFreeEnergyNonbondedSoftcoreForce (Failed)
69 - TestSerializeFreeEnergyGBSAOBCSoftcoreForce (Failed)
70 - TestReferenceAmoebaPiTorsionForce (OTHER_FAULT)
71 - TestReferenceAmoebaStretchBendForce (OTHER_FAULT)
72 - TestReferenceAmoebaHarmonicInPlaneAngleForce (OTHER_FAULT)
73 - TestReferenceAmoebaHarmonicAngleForce (OTHER_FAULT)
74 - TestReferenceAmoebaOutOfPlaneBendForce (OTHER_FAULT)
75 - TestReferenceAmoebaVdwForce (OTHER_FAULT)
76 - TestReferenceAmoebaTorsionForce (OTHER_FAULT)
78 - TestReferenceAmoebaUreyBradleyForce (OTHER_FAULT)
79 - TestReferenceAmoebaHarmonicBondForce (OTHER_FAULT)
80 - TestSerializeAmoebaVdwForce (Failed)
81 - TestSerializeAmoebaMultipoleForce (Failed)
82 - TestSerializeAmoebaOutOfPlaneBendForce (Failed)
83 - TestSerializeAmoebaPiTorsionForce (Failed)
84 - TestSerializeAmoebaHarmonicInPlaneAngleForce (Failed)
85 - TestSerializeAmoebaHarmonicAngleForce (Failed)
86 - TestSerializeAmoebaStretchBendForce (Failed)
87 - TestSerializeAmoebaTorsionTorsionForce (Failed)
88 - TestSerializeAmoebaGeneralizedKirkwoodForce (Failed)
""" 89 - TestSerializeAmoebaTorsionForce (Failed)
90 - TestSerializeAmoebaWcaDispersionForce (Failed)
91 - TestSerializeAmoebaUreyBradleyForce (Failed)
92 - TestSerializeAmoebaHarmonicBondForce (Failed)
93 - TestReferenceRpmd (OTHER_FAULT)
94 - TestOpenCLRpmd (OTHER_FAULT)
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