<div dir="ltr"><div>Hi Matthias,</div>Thank you, very nice of you. I try to use this one.<div>Gergely On Tuesday, July 10, 2018 at 9:00:50 PM UTC+9, Matthias Krack wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Gergely I have just uploaded the statically linked cp2k_shell.sopt executable from the corresponding CP2K 6.1 release build: <a href="https://sourceforge.net/projects/cp2k/files/precompiled/cp2k_shell-6.1-Linux-x86_64.sopt" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fsourceforge.net%2Fprojects%2Fcp2k%2Ffiles%2Fprecompiled%2Fcp2k_shell-6.1-Linux-x86_64.sopt\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNG7qgwNTEQHEWm_bQlr3XzGLwismw';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fsourceforge.net%2Fprojects%2Fcp2k%2Ffiles%2Fprecompiled%2Fcp2k_shell-6.1-Linux-x86_64.sopt\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNG7qgwNTEQHEWm_bQlr3XzGLwismw';return true;">https://sourceforge.net/projects/cp2k/files/precompiled/cp2k_shell-6.1-Linux-x86_64.sopt</a> Well, no guarantee that this will work. Matthias -----Original Message----- From: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="WlzkyHTvAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> [mailto:<a href="javascript:" target="_blank" gdf-obfuscated-mailto="WlzkyHTvAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>] On Behalf Of Ole Schütt Sent: 10 July 2018 13:42 To: <a href="javascript:" target="_blank" gdf-obfuscated-mailto="WlzkyHTvAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> Cc: Gergely Juhasz Subject: Re: [CP2K:10498] using precompiled version for ase / cp2k_shell ? Hi Gergely, you will need a cp2k_shell binary. AFAIK, the Fedora/CentOS package does not include it. So yes, you will have tom compile it from scratch. If it is of any help, the Debian/Ubuntu package does have the cp2k_shell included. -Ole On 2018-07-10 11:52, Gergely Juhasz wrote: > Hi, > I would like to set up cp2k as a calculator for my ase (Atomic > Simulation Environment) installation on a CentOS machine. > Since I have not much experience with cp2k program, I thought I simply > could use the single node optimized binaries that are available at > sourceforge . > However, the documentation of ase says it communicates with cp2k > through a cp2k shell. Can I configure the binaries to be used as this > shell? Or compiling everything from source code is the recommended > way to install cp2k as calculator? > Thank you for your comments > Best regards, > Gergely Juhasz > > -- > You received this message because you are subscribed to the Google > Groups "cp2k" group. > To unsubscribe from this group and stop receiving emails from it, send > an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="WlzkyHTvAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="WlzkyHTvAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. > Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/group/cp2k';return true;" onclick="this.href='https://groups.google.com/group/cp2k';return true;">https://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="WlzkyHTvAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp2k+uns...@googlegroups.com</a>. To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="WlzkyHTvAwAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>. Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/group/cp2k';return true;" onclick="this.href='https://groups.google.com/group/cp2k';return true;">https://groups.google.com/group/cp2k</a>. For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. </blockquote></div></div>