void testParallelComputation() {
    System system;
    const int numParticles = 200;
    for (int i = 0; i < numParticles; i++)
        system.addParticle(1.0);
    HarmonicBondForce* force = new HarmonicBondForce();
    for (int i = 1; i < numParticles; i++)
        force->addBond(i-1, i, 1.1, i);
    system.addForce(force);
    vector<Vec3> positions(numParticles);
    for (int i = 0; i < numParticles; i++)
        positions[i] = Vec3(i, 0, 0);
    VerletIntegrator integrator1(0.01);
    Context context1(system, integrator1, platform);
    context1.setPositions(positions);
    State state1 = context1.getState(State::Forces | State::Energy);
    VerletIntegrator integrator2(0.01);
    string deviceIndex = platform.getPropertyValue(context1, CudaPlatform::CudaDeviceIndex());
    map<string, string> props;
    props[CudaPlatform::CudaDeviceIndex()] = deviceIndex+","+deviceIndex;
    Context context2(system, integrator2, platform, props);
    context2.setPositions(positions);
    State state2 = context2.getState(State::Forces | State::Energy);
    ASSERT_EQUAL_TOL(state1.getPotentialEnergy(), state2.getPotentialEnergy(), 1e-5);
    for (int i = 0; i < numParticles; i++)
        ASSERT_EQUAL_VEC(state1.getForces()[i], state2.getForces()[i], 1e-5);
}
Exemple #2
0
int
main(int argc, char* argv[])
{
    int		fail = 0, sts = 0;
    int		c;
    char	buf[MAXHOSTNAMELEN];
    QString	source;

    pmSetProgname(argv[0]);

    while ((c = getopt(argc, argv, "D:?")) != EOF) {
	switch (c) {
	case 'D':
	    sts = pmSetDebug(optarg);
            if (sts < 0) {
		pmprintf("%s: unrecognized debug options specification (%s)\n",
			 pmGetProgname(), optarg);
                fail = 1;
            }
            break;
	case '?':
	default:
	    sts = 1;
	    break;
	}
    }

    if (fail) {
	pmprintf("Usage: %s\n", pmGetProgname());
	pmflush();
	exit(1);
    }

    (void)gethostname(buf, MAXHOSTNAMELEN);
    buf[MAXHOSTNAMELEN-1] = '\0';

    fprintf(stderr, "*** Simple connection ***\n");
    source = QString("oview-short");

    QmcSource *src1 = QmcSource::getSource(PM_CONTEXT_ARCHIVE, source, false);
    if (src1->status() < 0) {
	pmprintf("%s: Error: Unable to create context to \"%s\": %s\n",
		pmGetProgname(), (const char *)source.toLatin1(),
		pmErrStr(src1->status()));
	pmflush();
	fail = 1;
    }

    QmcContext context1(src1);
    if (context1.handle() < 0) {
	pmflush();
	fail = 1;
    }

    context1.dump(cout);

    pmID pmid;
    uint32_t indomIndex;

    fprintf(stderr, "\n*** Cacheing of descriptors and indoms ***\n");
    QmcDesc *desc;
    QmcIndom *indom = NULL;

    sts = context1.lookupInDom("hinv.ncpu", indomIndex);
    if (sts < 0) {
	pmprintf("%s: Error: hinv.ncpu: %s\n",
		 pmGetProgname(), pmErrStr(sts));
	pmflush();
	fail = 1;
    }
    else {
	sts = context1.lookupPMID("hinv.ncpu", pmid);
	if (sts < 0) {
	    pmprintf("%s: Error: hinv.ncpu PMID: %s\n",
		 pmGetProgname(), pmErrStr(sts));
	    pmflush();
	    fail = 1;
	}
	desc = &context1.desc(pmid);
	if (desc->status() < 0) {
	    pmprintf("%s: Error: hinv.ncpu descriptor: %s\n",
		     pmGetProgname(), pmErrStr(desc->status()));
	    pmflush();
	    fail = 1;
	}
	else if (indomIndex < UINT_MAX) {
	    pmprintf("%s: Error: hinv.ncpu indom is not NULL\n",
		     pmGetProgname());
	    pmflush();
	    fail = 1;
	}
    }

    sts = context1.lookupInDom("hinv.cputype", indomIndex);
    if (sts < 0) {
	pmprintf("%s: Error: hinv.cputype: %s\n",
		 pmGetProgname(), pmErrStr(sts));
	pmflush();
	fail = 1;
    }
    else {
	sts = context1.lookupPMID("hinv.cputype", pmid);
	if (sts < 0) {
	    pmprintf("%s: Error: hinv.cputype PMID: %s\n",
		pmGetProgname(), pmErrStr(sts));
	    pmflush();
	    fail = 1;
	}
	desc = &context1.desc(pmid);
	indom = &context1.indom(indomIndex);
	if (desc->status() < 0) {
	    pmprintf("%s: Error: hinv.cputype descriptor: %s\n",
		     pmGetProgname(), pmErrStr(desc->status()));
	    pmflush();
	    fail = 1;
	}
	else if (indom->status() < 0) {
	    pmprintf("%s: Error: hinv.cputype indom: %s\n",
		     pmGetProgname(), pmErrStr(indom->status()));
	    pmflush();
	    fail = 1;
	}
    }

    QmcIndom *indom2;

    sts = context1.lookupInDom("hinv.map.cpu", indomIndex);
    if (sts < 0) {
	pmprintf("%s: Error: hinv.map.cpu: %s\n",
		 pmGetProgname(), pmErrStr(sts));
	pmflush();
	fail = 1;
    }
    else {
	sts = context1.lookupPMID("hinv.map.cpu", pmid);
	if (sts < 0) {
	    pmprintf("%s: Error: hinv.map.cpu PMID: %s\n",
		pmGetProgname(), pmErrStr(sts));
	    pmflush();
	    fail = 1;
	}

	desc = &context1.desc(pmid);
	indom2 = &context1.indom(indomIndex);

	if (desc->status() < 0) {
	    pmprintf("%s: Error: hinv.map.cpu descriptor: %s\n",
		     pmGetProgname(), pmErrStr(desc->status()));
	    pmflush();
	    fail = 1;
	}
	else if (indom2->status() < 0) {
	    pmprintf("%s: Error: hinv.map.cpu indom: %s\n",
		     pmGetProgname(), pmErrStr(indom2->status()));
	    pmflush();
	    fail = 1;
	}
	else if (indom != indom2) {
	    pmprintf("%s: Error: hinv.cputype and hinv.map.cpu indoms are not the same\n",
		     pmGetProgname());
	    pmflush();
	    fail = 1;
	}
    }

    sts = context1.lookupInDom("hinv.ncpu", indomIndex);
    if (sts < 0) {
	pmprintf("%s: Error: hinv.ncpu: %s\n",
		 pmGetProgname(), pmErrStr(sts));
	pmflush();
	fail = 1;
    }
    else {
	sts = context1.lookupPMID("hinv.ncpu", pmid);
	if (sts < 0) {
	    pmprintf("%s: Error: hinv.ncpu PMID: %s\n",
		pmGetProgname(), pmErrStr(sts));
	    pmflush();
	    fail = 1;
	}

	desc = &context1.desc(pmid);

	if (desc->status() < 0) {
	    pmprintf("%s: Error: hinv.ncpu descriptor: %s\n",
		     pmGetProgname(), pmErrStr(desc->status()));
	    pmflush();
	    fail = 1;
	}
	else if (indomIndex < UINT_MAX) {
	    pmprintf("%s: Error: hinv.ncpu indom is not NULL\n",
		     pmGetProgname());
	    pmflush();
	    fail = 1;
	}
    }

    context1.dump(cout);

    fprintf(stderr, "\n*** Bad Context ***\n");
    source = QString("no-such-host");
    QmcSource *src2 = QmcSource::getSource(PM_CONTEXT_HOST, source);

    if (src2->status() >= 0) {
	pmprintf("%s: Error: Able to create context to \"%s\": %s\n",
		pmGetProgname(), (const char *)source.toLatin1(),
		pmErrStr(src1->status()));
	pmflush();
	fail = 1;
    }

    QmcContext context2(src2);

    if (context2.handle() >= 0) {
	pmprintf("%s: Error: Created a valid context to an invalid host\n",
		 pmGetProgname());
	fail = 1;
    }

    pmflush();

    context2.dump(cout);

    fprintf(stderr, "\n*** Exiting ***\n");
    
    pmflush();
    return fail;
}