{"action":"created","issue":{"url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/673","repository_url":"https://api.github.com/repos/QMCPACK/qmcpack","labels_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/673/labels{/name}","comments_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/673/comments","events_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/673/events","html_url":"https://github.com/QMCPACK/qmcpack/issues/673","id":297467708,"number":673,"title":"v3.4.0 segfaults with gaussian orbitals","user":{"login":"jtkrogel","id":24547905,"avatar_url":"https://avatars3.githubusercontent.com/u/24547905?v=4","gravatar_id":"","url":"https://api.github.com/users/jtkrogel","html_url":"https://github.com/jtkrogel","followers_url":"https://api.github.com/users/jtkrogel/followers","following_url":"https://api.github.com/users/jtkrogel/following{/other_user}","gists_url":"https://api.github.com/users/jtkrogel/gists{/gist_id}","starred_url":"https://api.github.com/users/jtkrogel/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jtkrogel/subscriptions","organizations_url":"https://api.github.com/users/jtkrogel/orgs","repos_url":"https://api.github.com/users/jtkrogel/repos","events_url":"https://api.github.com/users/jtkrogel/events{/privacy}","received_events_url":"https://api.github.com/users/jtkrogel/received_events","type":"User","site_admin":false},"labels":[{"id":516230979,"url":"https://api.github.com/repos/QMCPACK/qmcpack/labels/bug","name":"bug","color":"ee0701","default":true}],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":1,"created_at":"2018-02-15T14:36:40Z","updated_at":"2018-02-15T15:28:14Z","closed_at":null,"author_association":"CONTRIBUTOR","body":"When running a single atom (V from GAMESS, BFD potential) I get a segfault during VMC with QMCPACK version 3.4.0 (AoS).  Versions 3.1.1, 3.2.0, and 3.3.0 are fine with the same input files (attached: [bug.zip](https://github.com/QMCPACK/qmcpack/files/1727997/bug.zip)).\r\n\r\nSystem was run on OIC5 at ORNL with identical build environment for all versions.  Segfault output is below:\r\n\r\n  Using Particle by Particle moves\r\n  Walker moves without drift\r\n  Total Sample Size   =0\r\n  Walker distribution on root = 0 1 \r\n  Using Locality Approximation\r\n[b23l01:10997] *** Process received signal ***\r\n[b23l01:10997] Signal: Segmentation fault (11)\r\n[b23l01:10997] Signal code:  (128)\r\n[b23l01:10997] Failing at address: (nil)\r\n[b23l01:10997] [ 0] /lib64/libpthread.so.0(+0xf7e0) [0x2ade95c6e7e0]\r\n[b23l01:10997] [ 1] qmcpack_v340_real(_ZN11qmcplusplus20DiracDeterminantBase10acceptMoveERNS_11ParticleSetEi+0x43d) [0xdc753d]\r\n[b23l01:10997] [ 2] qmcpack_v340_real(_ZN11qmcplusplus9SlaterDet10acceptMoveERNS_11ParticleSetEi+0xb0) [0x97e180]\r\n[b23l01:10997] [ 3] qmcpack_v340_real(_ZN11qmcplusplus17TrialWaveFunction10acceptMoveERNS_11ParticleSetEi+0x43) [0xa5cec3]\r\n[b23l01:10997] [ 4] qmcpack_v340_real(_ZN11qmcplusplus13QMCUpdateBase9randomizeERNS_6WalkerINS_9QMCTraitsENS_19PtclOnLatticeTraitsEEE+0xb52) [0x6ee262]\r\n[b23l01:10997] [ 5] qmcpack_v340_real(_ZN11qmcplusplus13QMCUpdateBase18initWalkersForPbyPEN9__gnu_cxx17__normal_iteratorIPPNS_6WalkerINS_9QMCTraitsENS_19PtclOnLatticeTraitsEEESt6vectorIS7_SaIS7_EEEESC_+0xccb) [0x6ef0db]\r\n[b23l01:10997] [ 6] qmcpack_v340_real() [0x684e2f]\r\n[b23l01:10997] [ 7] /projects/gcc/4.9.3//lib64/libgomp.so.1(GOMP_parallel+0x3f) [0x2ade958288df]\r\n[b23l01:10997] [ 8] qmcpack_v340_real(_ZN11qmcplusplus12VMCSingleOMP8resetRunEv+0xbea) [0x6881ca]\r\n[b23l01:10997] [ 9] qmcpack_v340_real(_ZN11qmcplusplus12VMCSingleOMP3runEv+0x1f) [0x689b07]\r\n[b23l01:10997] [10] qmcpack_v340_real(_ZN11qmcplusplus7QMCMain6runQMCEP8_xmlNode+0x11c) [0x546e1c]\r\n[b23l01:10997] [11] qmcpack_v340_real(_ZN11qmcplusplus7QMCMain17executeQMCSectionEP8_xmlNodeb+0x2aa) [0x54850a]\r\n[b23l01:10997] [12] qmcpack_v340_real(_ZN11qmcplusplus7QMCMain7executeEv+0x7d0) [0x54b600]\r\n[b23l01:10997] [13] qmcpack_v340_real(main+0x2a82) [0x543182]\r\n[b23l01:10997] [14] /lib64/libc.so.6(__libc_start_main+0xfd) [0x2ade95ea5d1d]\r\n[b23l01:10997] [15] qmcpack_v340_real() [0x53a685]\r\n[b23l01:10997] *** End of error message ***\r\nSegmentation fault\r\n"},"comment":{"url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/comments/365961601","html_url":"https://github.com/QMCPACK/qmcpack/issues/673#issuecomment-365961601","issue_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/673","id":365961601,"user":{"login":"ye-luo","id":1454251,"avatar_url":"https://avatars2.githubusercontent.com/u/1454251?v=4","gravatar_id":"","url":"https://api.github.com/users/ye-luo","html_url":"https://github.com/ye-luo","followers_url":"https://api.github.com/users/ye-luo/followers","following_url":"https://api.github.com/users/ye-luo/following{/other_user}","gists_url":"https://api.github.com/users/ye-luo/gists{/gist_id}","starred_url":"https://api.github.com/users/ye-luo/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/ye-luo/subscriptions","organizations_url":"https://api.github.com/users/ye-luo/orgs","repos_url":"https://api.github.com/users/ye-luo/repos","events_url":"https://api.github.com/users/ye-luo/events{/privacy}","received_events_url":"https://api.github.com/users/ye-luo/received_events","type":"User","site_admin":false},"created_at":"2018-02-15T15:28:14Z","updated_at":"2018-02-15T15:28:14Z","author_association":"CONTRIBUTOR","body":"Unfortunately, I can't reproduce the problem on my workstation. It might be a OIC5 specific problem. The error message shows a null pointer in DiracDeterminantBase::acceptMove. Could you run 1 thread and manually print pointers psiM.data(), psiV.data(), dpsiM.data(), d2psiV.data(), dpsiM.data(), d2psiV.data()?"}}
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