{"id":1834,"date":"2019-04-30T00:01:24","date_gmt":"2019-04-29T23:01:24","guid":{"rendered":"http:\/\/espressomd.org\/wordpress\/?p=1834"},"modified":"2019-12-13T18:51:18","modified_gmt":"2019-12-13T17:51:18","slug":"espresso-4-0-2-released","status":"publish","type":"post","link":"https:\/\/espressomd.org\/wordpress\/espresso-4-0-2-released\/","title":{"rendered":"ESPResSo 4.0.2 released"},"content":{"rendered":"\n<p> <br \/>This release provides a number of corrections for the Espresso 4.0 line.<br \/> We recommend that this release be used for all production simulations.<br \/> Please note that a sign error in tabulated interactions was fixed.<br \/> Simulation scripts which worked around this problem might have to be changed. <br \/>Below, please find the list of changes. The numbers in brackets refer to<br \/>ticket numbers on <a href=\"http:\/\/github.com\/espressomd\/espresso\">http:\/\/github.com\/espressomd\/espresso.&nbsp;<\/a><\/p>\n\n\n\n<h4 class=\"has-text-align-left wp-block-heading\">Get it in the <a href=\"https:\/\/espressomd.org\/wordpress\/download\/\">Download area<\/a><\/h4>\n\n\n\n<h4 class=\"wp-block-heading\">Corrections for bugs that may harm simulation results:<\/h4>\n\n\n\n<ul class=\"wp-block-list\"><li>A sign error in tabulated interactions was corrected such that<br \/> the force equals the negative gradient of the potential (#2519,2520).<\/li><li>The flow field of the CPU lattice-Boltzmann implementation was deleted<br \/> when aspects of the molecular dynamics cell grid were changed; E.g., when <br \/> interactions, the skin or the parallelization setup were changed.<br \/> ESPResSo now terminates with an error, when this happens.<br \/> To avoid this, please setup the CPU lattice-Boltzmann after all<br \/> other aspects of the system. The GPU LB is not affected in the 4.0<br \/> release, but was affected in the current development branch (#2728, #2736).<\/li><li>Corrected the force acting on LB Boundaries for the case of<br \/> agrid and density not equal to 1 (#2624).<\/li><li>Corrected the cutoff calculation for the soft sphere interaction. In the <br \/> previous implementation, the offset parameter was ignored (#2505).<\/li><li>The &#8220;three point coupling&#8221; of particles to the lattice-Boltzmann method<br \/> has been removed. While it works in most environments, for some compilers<br \/> the calculation gives wrong values. This is likely caused by undefined<br \/> behavior. A corrected implementation is available in <br \/> ESPResSo&#8217;s development branch. It cannot be safely backported to 4.0.2,<br \/> because the code has diverged too far (#2516, #2517).<br \/> Users who did not explicitly activate this coupling via couple=&#8221;3pt&#8221; are <br \/> not affected.<\/li><li>The velocity of existing particles was changed when setting or changing<br \/> the simulation time step (#2480).<\/li><\/ul>\n\n\n\n<h4 class=\"wp-block-heading\">Further changes:<\/h4>\n\n\n\n<ul class=\"wp-block-list\"><li>Fixed the electrokinetic Python interface (#2486)<\/li><li>Correction to the installation instructions for mac (#2510)<\/li><li>Corrected file permissions (#2470)<\/li><li>Minor corrections and extensions to the test suite (#2477, #2552)<\/li><li>Fixed a dead-lock in the dipolar Barnes Hutt method on the GPU for<br \/>\nrecent NVIDIA cards such as RTX 2080 (#2719).<\/li><\/ul>\n","protected":false},"excerpt":{"rendered":"<p>This release provides a number of corrections for the Espresso 4.0 line. We recommend that this release be used for all production simulations. Please note that a sign error in tabulated interactions was fixed. Simulation scripts which worked around this problem might have to be changed. Below, please find the list of changes. The numbers &hellip; <\/p>\n<p><a class=\"more-link btn\" href=\"https:\/\/espressomd.org\/wordpress\/espresso-4-0-2-released\/\">Continue reading<\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[6],"tags":[],"class_list":["post-1834","post","type-post","status-publish","format-standard","hentry","category-news","item-wrap"],"_links":{"self":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts\/1834","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/comments?post=1834"}],"version-history":[{"count":12,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts\/1834\/revisions"}],"predecessor-version":[{"id":1959,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/posts\/1834\/revisions\/1959"}],"wp:attachment":[{"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/media?parent=1834"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/categories?post=1834"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/espressomd.org\/wordpress\/wp-json\/wp\/v2\/tags?post=1834"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}