<div dir="ltr">Hi again Tiziano,<div>The issue I was having was with Intel 19.0.3 compilers.  I rebuilt CP2K 7.0 and dependencies with Intel 18.0.5 and everything worked as expected.</div><div><br></div><div>Jerry<br><br>On Thursday, November 14, 2019 at 1:27:16 PM UTC-5, Jerry Tanoury wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hi Tiziano,<div>I have attached the output from make (make.out) and regtest (test.out).  I built the most recent development version from git, using Intel 2019.3 compilers and MKLs. When I `<my-cp2k-executable> --version`, the terminal hangs and nothing is printed.  When I do this with v5.1 (built with Intel 2017 update 5 and corresponding MKLs), I get the expected output: </div><div><br></div><div><div>CP2K version 5.1</div><div> SVN source code revision svn:18091</div><div> cp2kflags: libint fftw3 libxc parallel mpi3 scalapack xsmm libderiv_max_am1=6 libint_max_am=7</div><div><br></div><div><br></div><div>Thank you for the help,</div><div>Jerry</div><br>On Wednesday, November 13, 2019 at 9:07:29 AM UTC-5, Tiziano Müller wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex">Hi Jerry,
<br>
<br>the regtest-script checks the capabilities of CP2K by evaluating the 
<br>output of `<your-cp2k-executable> --version`. Guessing from your arch/ 
<br>file your CP2K should be using fftw/libint/libxc, but you might want to 
<br>check it manually.
<br>
<br>Please remove the `-nosvn` as indicated by the warning.
<br>
<br>Sharing the full build/test log might give us some more insight.
<br>
<br>Best regards,
<br>Tiziano
<br>
<br>On 12.11.19 22:35, Jerry Tanoury wrote:
<br>> Dear Forum,
<br>> I have run into a problem with regtest when testing a dev version of 
<br>> 7.x.  I built the code using the attached arch file and it proceeded 
<br>> without error.  However, when I run regtest ('tools/regtest/do_regtest 
<br>> -arch intel -version popt -nosvn -maxtasks 4'), the initial output 
<br>> indicates that numerous tests are not being run because of missing 
<br>> dependencies: libint, libxc, fftw3.  I'm not sure if this is a 
<br>> permissions issue with the executable (checking with my HPC admin on 
<br>> this), or it is something else.
<br>> 
<br>> Any help is very much appreciated.
<br>> 
<br>> Best regards,
<br>> Jerry
<br>> 
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<br>
<br>-- 
<br>Tiziano Müller
<br>University of Zurich
<br>Department of Chemistry
<br>Winterthurerstrasse 190
<br>CH-8057 Zürich
<br>
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