{"action":"created","issue":{"url":"https://api.github.com/repos/TinkerTools/Tinker/issues/39","repository_url":"https://api.github.com/repos/TinkerTools/Tinker","labels_url":"https://api.github.com/repos/TinkerTools/Tinker/issues/39/labels{/name}","comments_url":"https://api.github.com/repos/TinkerTools/Tinker/issues/39/comments","events_url":"https://api.github.com/repos/TinkerTools/Tinker/issues/39/events","html_url":"https://github.com/TinkerTools/Tinker/issues/39","id":336201953,"node_id":"MDU6SXNzdWUzMzYyMDE5NTM=","number":39,"title":"dynamic_omm hangs with no output","user":{"login":"leeping","id":1441560,"node_id":"MDQ6VXNlcjE0NDE1NjA=","avatar_url":"https://avatars1.githubusercontent.com/u/1441560?v=4","gravatar_id":"","url":"https://api.github.com/users/leeping","html_url":"https://github.com/leeping","followers_url":"https://api.github.com/users/leeping/followers","following_url":"https://api.github.com/users/leeping/following{/other_user}","gists_url":"https://api.github.com/users/leeping/gists{/gist_id}","starred_url":"https://api.github.com/users/leeping/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/leeping/subscriptions","organizations_url":"https://api.github.com/users/leeping/orgs","repos_url":"https://api.github.com/users/leeping/repos","events_url":"https://api.github.com/users/leeping/events{/privacy}","received_events_url":"https://api.github.com/users/leeping/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":10,"created_at":"2018-06-27T12:10:17Z","updated_at":"2018-06-27T14:33:23Z","closed_at":null,"author_association":"COLLABORATOR","body":"Hi there,\r\n\r\nI'm posting here because the Tinker-OpenMM repo doesn't appear to have an issue tracker.\r\n\r\nI just built dynamic_omm using the latest TINKER release (8.4.4 downloaded from Jay's website) and the latest OpenMM fork from https://github.com/TinkerTools/Tinker-OpenMM .  After I provide the .key file to dynamic_omm, it hangs indefinitely as if waiting for me to type something in (I have waited minutes).  I can quit the program with Ctrl-C but it doesn't show me anything useful.\r\n\r\n```\r\nleeping@libra:~/src/Tinker/example$ ../bin/dynamic_omm watersmall.xyz\r\n\r\n     ######################################################################\r\n   ##########################################################################\r\n  ###                                                                      ###\r\n ###            TINKER  ---  Software Tools for Molecular Design            ###\r\n ##                                                                          ##\r\n ##                        Version 8.4  February 2018                        ##\r\n ##                                                                          ##\r\n ##               Copyright (c)  Jay William Ponder  1990-2018               ##\r\n ###                           All Rights Reserved                          ###\r\n  ###                                                                      ###\r\n   ##########################################################################\r\n     ######################################################################\r\n\r\nforrtl: error (69): process interrupted (SIGINT)\r\nImage              PC                Routine            Line        Source             \r\ndynamic_omm        00000000007F7271  Unknown               Unknown  Unknown\r\n(and ~50 more of these lines)\r\n```\r\n\r\nI built dynamic_omm twice on two different machines and environments, both running Ubuntu 16.04.  One environment uses Intel compilers (15.0.3 20150407) and CUDA 8.0; the other environment uses gfortran (GCC 5.4.0) and CUDA 9.0.  On both machines I am getting the exact same error.\r\n\r\nI've gotten previous versions of Tinker and OpenMM to work together, so I'm not sure what the most recent issue might be.  Maybe you've experienced something similar?  Please let me know.\r\n\r\nI can provide any other useful information such as environment variables and compiler arguments if you need them.\r\n\r\nThanks,\r\n\r\n- Lee-Ping"},"comment":{"url":"https://api.github.com/repos/TinkerTools/Tinker/issues/comments/400694606","html_url":"https://github.com/TinkerTools/Tinker/issues/39#issuecomment-400694606","issue_url":"https://api.github.com/repos/TinkerTools/Tinker/issues/39","id":400694606,"node_id":"MDEyOklzc3VlQ29tbWVudDQwMDY5NDYwNg==","user":{"login":"andysim","id":201881,"node_id":"MDQ6VXNlcjIwMTg4MQ==","avatar_url":"https://avatars2.githubusercontent.com/u/201881?v=4","gravatar_id":"","url":"https://api.github.com/users/andysim","html_url":"https://github.com/andysim","followers_url":"https://api.github.com/users/andysim/followers","following_url":"https://api.github.com/users/andysim/following{/other_user}","gists_url":"https://api.github.com/users/andysim/gists{/gist_id}","starred_url":"https://api.github.com/users/andysim/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/andysim/subscriptions","organizations_url":"https://api.github.com/users/andysim/orgs","repos_url":"https://api.github.com/users/andysim/repos","events_url":"https://api.github.com/users/andysim/events{/privacy}","received_events_url":"https://api.github.com/users/andysim/received_events","type":"User","site_admin":false},"created_at":"2018-06-27T14:33:23Z","updated_at":"2018-06-27T14:33:23Z","author_association":"COLLABORATOR","body":"Yeah, it looks like you're getting `fftw_thread` and `fftw` from different locations, which could be problematic.  I'm still wrestling with the compilation at this end (a few makefile problems that I found), but will update when I get it figured out."}}
{"actor":{"display_login":"andysim"}}