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Bug #3161

mdrun-test hangs with -ntmpi2

Added by Szilárd Páll about 1 month ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
testing
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

Running the regular test binary with two ranks should either err out or just run.

(gdb) bt 
#0  tMPI_Event_wait (ev=0x2409ac4) at /home/pszilard/projects/gromacs/gromacs-master/src/external/thread_mpi/src/event.cpp:71
#1  0x000000000101d50a in tMPI_Reduce_fast (sendbuf=0x7fffffff8460, recvbuf=0x7fffffff8460, count=1, datatype=0x22e8200 <tmpi_float>, op=TMPI_SUM, 
    root=0, comm=0x32e8fa0) at /home/pszilard/projects/gromacs/gromacs-master/src/external/thread_mpi/src/reduce.cpp:149
#2  0x000000000101d9e8 in tMPI_Allreduce (sendbuf=0x7fffffff8460, recvbuf=0x7fffffff8460, count=1, datatype=0x22e8200 <tmpi_float>, op=TMPI_SUM, 
    comm=0x32e8fa0) at /home/pszilard/projects/gromacs/gromacs-master/src/external/thread_mpi/src/reduce.cpp:312
#3  0x0000000000e1c577 in gmx_sumf (nr=1, r=0x7fffffff8460, cr=0x2407fd0)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/gmxlib/network.cpp:363
#4  0x000000000114c469 in gmx::DensityFittingForceProvider::Impl::calculateForces (this=0x2402c50, forceProviderInput=..., 
    forceProviderOutput=0x7fffffff8800) at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/applied_forces/densityfittingforceprovider.cpp:217
#5  0x000000000114cbc0 in gmx::DensityFittingForceProvider::calculateForces (this=0x32fa360, forceProviderInput=..., forceProviderOutput=0x7fffffff8800)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/applied_forces/densityfittingforceprovider.cpp:297
#6  0x0000000001076363 in gmx::ForceProviders::calculateForces (this=0x24032f0, forceProviderInput=..., forceProviderOutput=0x7fffffff8800)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/mdtypes/iforceprovider.cpp:82
#7  0x000000000122d068 in computeSpecialForces (fplog=0x2397360, cr=0x2407fd0, inputrec=0x7fffffffb200, awh=0x0, enforcedRotation=0x0, 
    imdSession=0x35828c0, pull_work=0x0, step=0, t=0, wcycle=0x2402d80, forceProviders=0x24032f0, box=0x7fffffff9374, x=..., mdatoms=0x3582720, 
    lambda=0x7fffffff9358, stepWork=..., forceWithVirial=0x7fffffff89c0, enerd=0x7fffffffa810, ed=0x0, didNeighborSearch=true)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/mdlib/sim_util.cpp:555
#8  0x000000000122fa05 in do_force (fplog=0x2397360, cr=0x2407fd0, ms=0x0, inputrec=0x7fffffffb200, awh=0x0, enforcedRotation=0x0, imdSession=0x35828c0, 
    pull_work=0x0, step=0, nrnb=0x7fffffffada0, wcycle=0x2402d80, top=0x7fffffff9a80, box=0x7fffffff9374, x=..., hist=0x7fffffff95f0, force=..., 
    vir_force=0x7fffffff8fe0, mdatoms=0x3582720, enerd=0x7fffffffa810, fcd=0x2c56530, lambda=..., graph=0x0, fr=0x2c568c0, 
    runScheduleWork=0x7fffffffacd0, vsite=0x0, mu_tot=0x7fffffff9a04, t=0, ed=0x0, legacyFlags=981, ddBalanceRegionHandler=...)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/mdlib/sim_util.cpp:1492
#9  0x000000000118f26b in (anonymous namespace)::EnergyEvaluator::run (this=0x7fffffff9130, ems=0x7fffffff9340, mu_tot=0x7fffffff9a04, 
    vir=0x7fffffff9a40, pres=0x7fffffff9a10, count=0, bFirst=true) at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/mdrun/minimize.cpp:852
#10 0x00000000011958fe in gmx::LegacySimulator::do_steep (this=0x3585aa0)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/mdrun/minimize.cpp:2494
#11 0x0000000001181e4f in gmx::LegacySimulator::run (this=0x3585aa0)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/mdrun/legacysimulator.cpp:86
#12 0x0000000000ee7d0a in gmx::Mdrunner::mdrunner (this=0x7fffffffbde0)
    at /home/pszilard/projects/gromacs/gromacs-master/src/gromacs/mdrun/runner.cpp:1621
#13 0x000000000044e547 in gmx::gmx_mdrun (argc=19, argv=0x2392e30) at /home/pszilard/projects/gromacs/gromacs-master/src/programs/mdrun/mdrun.cpp:274
#14 0x00000000012b7313 in gmx::test::SimulationRunner::callMdrun (this=0x2390498, callerRef=...)
    at /home/pszilard/projects/gromacs/gromacs-master/src/programs/mdrun/tests/moduletest.cpp:293
#15 0x0000000000416e3e in gmx::test::DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct_Test::TestBody (this=0x2390480)
    at /home/pszilard/projects/gromacs/gromacs-master/src/programs/mdrun/tests/densityfittingmodule.cpp:145
#16 0x00000000016409df in testing::internal::HandleSehExceptionsInMethodIfSupported<testing::Test, void> (object=0x2390480, 
    method=&virtual testing::Test::TestBody(), location=0x17eeb1b "the test body")
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:2402
#17 0x000000000163c5dc in testing::internal::HandleExceptionsInMethodIfSupported<testing::Test, void> (object=0x2390480, 
    method=&virtual testing::Test::TestBody(), location=0x17eeb1b "the test body")
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:2438
#18 0x000000000162417e in testing::Test::Run (this=0x2390480)
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:2474
#19 0x00000000016249e4 in testing::TestInfo::Run (this=0x236b0d0)
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:2656
#20 0x0000000001625009 in testing::TestCase::Run (this=0x236b400)
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:2774
#21 0x000000000162b8cf in testing::internal::UnitTestImpl::RunAllTests (this=0x236a990)
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:4649
#22 0x00000000016417da in testing::internal::HandleSehExceptionsInMethodIfSupported<testing::internal::UnitTestImpl, bool> (object=0x236a990, 
    method=(bool (testing::internal::UnitTestImpl::*)(testing::internal::UnitTestImpl * const)) 0x162b626 <testing::internal::UnitTestImpl::RunAllTests()>, location=0x17ef3e0 "auxiliary test code (environments or event listeners)")
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:2402
#23 0x000000000163d128 in testing::internal::HandleExceptionsInMethodIfSupported<testing::internal::UnitTestImpl, bool> (object=0x236a990, 
    method=(bool (testing::internal::UnitTestImpl::*)(testing::internal::UnitTestImpl * const)) 0x162b626 <testing::internal::UnitTestImpl::RunAllTests()>, location=0x17ef3e0 "auxiliary test code (environments or event listeners)")
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:2438
#24 0x000000000162a600 in testing::UnitTest::Run (this=0x22fed40 <testing::UnitTest::GetInstance()::instance>)
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/src/gtest.cc:4257
#25 0x000000000044e0db in RUN_ALL_TESTS ()
    at /home/pszilard/projects/gromacs/gromacs-master/src/external/googletest/googletest/include/gtest/gtest.h:2233
#26 0x000000000044e06a in main (argc=3, argv=0x7fffffffd248) at /home/pszilard/projects/gromacs/gromacs-master/src/testutils/unittest_main.cpp:85

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