<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">I found this now—no I have not tried this: ./install_cp2k_toolchain.sh . I doubt that would work on my intel KNL cluster. <div class=""><br class=""></div><div class="">Ron</div><div class=""><br class=""><div class="">
<div style="color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">---</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Ronald Cohen</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Extreme Materials Initiative<br class="">Geophysical Laboratory<br class="">Carnegie Institution<br class="">5251 Broad Branch Rd., N.W.<br class="">Washington, D.C. 20015<br class=""><a href="mailto:rco...@carnegiescience.edu" class="">rco...@carnegiescience.edu</a><br class="">office: 202-478-8937<br class="">skype: ronaldcohen</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">twitter: <span style="text-align: -webkit-auto;" class="">@</span><span style="text-align: -webkit-auto;" class="">recohen3</span></div></div></div>
</div>
<div><br class=""><blockquote type="cite" class=""><div class="">On 5. Jan 2019, at 18:27, Ronald Cohen <<a href="mailto:rco...@carnegiescience.edu" class="">rco...@carnegiescience.edu</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=utf-8" class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div class=""><blockquote type="cite" class=""><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html; charset=utf-8" class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">I don’t know what you mean by the toolchain. I followed the directions for compiling for Intel using the arch file. I think that uses the toolchain in the arch file. I tried using both the 2018 and 2019 Intel compilers. I don’t use gcc on my KNL system. If I type gcc -v it says 6.3.0 and is the most up to date on debian apparently. I think the problem is with reduction loops that are not marked in the OMP tags, and maybe variables that should be private not marked. Note it passes hundreds of the regtests but just fails on the vDW ones. <div class=""><br class=""></div><div class="">Ron</div><div class=""><br class=""><div class="">
<div style="font-family: Helvetica; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><br class=""></div><br class="Apple-interchange-newline">
</div>
<div class=""><br class=""><blockquote type="cite" class=""><div class="">On 5. Jan 2019, at 06:43, Anton Kudelin <<a href="mailto:archm...@gmail.com" class="">archm...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">What was the result of using the toolchain? Could you recompile the CP2K environment with a fresh GCC (7.4, 8.2, or any other that supports KNL extensions) by hand or by the toolchain? Also I'd like to look at output files which gave 'RUNTIME FAIL'.<br class=""><br class="">On Friday, January 4, 2019 at 4:52:21 PM UTC+3, Ronald Cohen wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div style="word-wrap:break-word;line-break:after-white-space" class="">Yes, I did use the tool chain. The arch file is here. It has only minor changes from the distributed one.<br class=""><div class="">Thank you!<div class=""><br class=""></div><div class="">Ron</div><div class=""><br class=""><div class="">
<div style="font-family: Helvetica; font-style: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; word-wrap: break-word; line-break: after-white-space;" class="">-</div></div></div></div></div></blockquote></div>
You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br class="">
To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/gzmRqKNt62U/unsubscribe" class="">https://groups.google.com/d/topic/cp2k/gzmRqKNt62U/unsubscribe</a>.<br class="">
To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp2k+uns...@googlegroups.com" class="">cp2k+uns...@googlegroups.com</a>.<br class="">
To post to this group, send email to <a href="mailto:cp...@googlegroups.com" class="">cp...@googlegroups.com</a>.<br class="">
Visit this group at <a href="https://groups.google.com/group/cp2k" class="">https://groups.google.com/group/cp2k</a>.<br class="">
For more options, visit <a href="https://groups.google.com/d/optout" class="">https://groups.google.com/d/optout</a>.<br class="">
</div></blockquote></div><br class=""></div></div></div></blockquote></div><br class=""></div></div></blockquote></div><br class=""></div></body></html>