<div dir="ltr">Hi Luiz,<div>so, the problem is in the DFLAGS setting in your arch file. You are setting it twice:</div><div><br></div><div><div>DFLAGS = -D__MKL -D__HAS_NO_SHARED_GLIBC -D__LIBXSMM \</div><div> -D__parallel -D__SCALAPACK \</div><div> -D__ELPA=201605 \</div><div> -D__LIBXC \</div><div> -D_LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 \</div><div> -D__MAX_CONTR=4</div></div><div><br></div><div>and then</div><div><br></div><div><div>DFLAGS = -D__parallel -D__SCALAPACK -D__MPI_VERSION=3 \</div><div> -D__FFTW3 \</div><div> -D__HAS_ISO_C_BINDING</div></div><div>DFLAGS += -D__PLUMED2<br></div><div><br></div><div>Just remove the second definition, put the PLUMED2 on top, and it should fix your problem.</div><div><br></div><div>Alfio</div><div><br></div><div><br>Il giorno venerdì 23 marzo 2018 01:56:40 UTC+1, Luiz Fernando Lopes Oliveira ha scritto:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Hello Alfio.<div><br></div><div>Thank you for your feedback. </div><div><br></div><div>Attached is my .psmp arch file. I made some modifications to it since my last post, but still, I cannot link the following libraries to it: libxc, libinit, and elpa. By no means my .arch is "clean", but if you can have a look at it, any thoughts would be greatly appreciated. </div><div><br></div><div>By the way, the command you suggested gave me:</div><div><br></div><div><div> cp2kflags: omp fftw3 parallel mpi3 scalapack plumed2</div><br>On Monday, March 19, 2018 at 1:50:51 AM UTC-7, Alfio Lazzaro wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Luiz Fernando Lopes Oliveira,<div>could you attach the arch file you are using? In your previous email, you attached the arch file which is in CP2K, but you said that you did some changes to it (plumed)...</div><div>Then, you can just run the command:</div><div><br></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0)">./cp2k.psmp --version | grep </span></span><span style="color:rgb(0,0,0);font-family:monospace">cp2kflags</span><span style="font-family:monospace"><br></span></div><div><br></div><div>to see which libraries are there.</div><div><br></div><div>Alfio</div><div><br><br>Il giorno lunedì 19 marzo 2018 08:10:20 UTC+1, Luiz Fernando Lopes Oliveira ha scritto:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Yes. I used the arch file that comes by default with CP2K latest version.<div> <div>Of course, I updated the paths of my libs, but the arch file looks like the one attached</div></div></div><div><br><div class="gmail_quote">On Sun, Mar 18, 2018 at 11:03 PM, Yingchun Zhang <span dir="ltr"><<a rel="nofollow">zhang...@126.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><br></div></blockquote><div>Hi,</div><div>More information is needed. You should attach your arch file.</div><div>My understanding on your problems is you compile CP2K without errors but the libs were not linked to the executable .psmp file, right? </div><div>Maybe you didn't include those libs correctly in your ARCH file. </div></div><div><div>
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