[CP2K-user] [CP2K:12016] Plumed2 error during CP2K build

[Jerry Tanoury]

Hi Matthias,
I was finally able to get a successful build of CP2K with PLUMED 2.5.2 
using the shared library (libplumed.so).  All attempts to build with static 
PLUMED2 libraries did not work. I'm not sure if the static build issues is 
a result of how I built PLUMED2????  Would you be able to share your 
Makefile.conf or config.log file(s) that you used to build PLUMED2.  

My successful arch file is attached.

Thank you for the help and best regards,
Jerry


On Wednesday, July 31, 2019 at 6:13:33 AM UTC-4, Matthias Krack wrote:
>
> Hi Jerry
>
>  
>
> The line with PLUMED_DEPENDENCIES is still commented in your arch file:
>
> #LIBS      = $(PLUMED_DEPENDENCIES) -lgsl -ldl -lgslcblas -lz
>
> LIBS       = $(LIBXC_LIB)/libxcf03.a $(LIBXC_LIB)/libxc.a
>
>  
>
> Try instead:
>
> LIBS       = $(PLUMED_DEPENDENCIES) -lgsl -ldl -lgslcblas -lz
>
> LIBS      += $(LIBXC_LIB)/libxcf03.a $(LIBXC_LIB)/libxc.a
>
>  
>
> Best regards
>
>  
>
> Matthias
>
>  
>
> *From:* c... at googlegroups.com <javascript:> <c... at googlegroups.com 
> <javascript:>> *On Behalf Of *Jerry Tanoury
> *Sent:* Mittwoch, 31. Juli 2019 11:52
> *To:* cp2k <c... at googlegroups.com <javascript:>>
> *Subject:* Re: [CP2K:12016] Plumed2 error during CP2K build
>
>  
>
> Hi Matthias,
>
> The files are posted below.  I think the problem is with my plumed2 
> install, but I'm having trouble tracking down the issue.
>
>  
>
> Thank you so much for the help.
>
>  
>
> Jerry
>
>  
>
> On Wed, Jul 31, 2019 at 3:43 AM Krack Matthias (PSI) <mat... at psi.ch 
> <javascript:>> wrote:
>
> Hi Jerry
>
>  
>
> Can you post your arch file, the content of 
> “plumed/2.5.2/lib/plumed/src/lib/Plumed.inc.static” (which contains the 
> definition of PLUMED_DEPENDENCIES), and the error log again. 
>
>  
>
> Best regards
>
>  
>
> Matthias
>
>  
>
> *From:* c... at googlegroups.com <javascript:> <c... at googlegroups.com 
> <javascript:>> *On Behalf Of *Jerry Tanoury
> *Sent:* Dienstag, 30. Juli 2019 19:42
> *To:* cp2k <c... at googlegroups.com <javascript:>>
> *Subject:* Re: [CP2K:12013] Plumed2 error during CP2K build
>
>  
>
> Thank you Matthias.  I built plumed-2.5.2 using 
> "--prefix=/cluster/home/tanoury/plumed-2.5.2 CC=mpiicc FC=mpiifort 
> CXX=mpiicpc LIBS=-mkl", updated my arch file to fix LIBS, but got the same 
> error messages and a failed install.
>
>  
>
> Am I missing something in my plumed2 install??
>
>  
>
> Best regards,
> Jerry
>
> On Monday, July 29, 2019 at 12:07:48 PM UTC-4, Matthias Krack wrote:
>
> PS: The current trunk CP2K version links also with plumed 2.5.2 cleanly. 
> Check your arch file, since you commented the first line starting with 
> LIBS. Make sure that libplumed.a.is included in the link step.
>
>  
>
> HTH
>
>  
>
> Matthias
>
>
> On Monday, 29 July 2019 16:40:34 UTC+2, Matthias Krack wrote:
>
> Hi Jerry
>
>  
>
> The regression tester work with plumed version 2.4.1 including the one 
> your arch file is based on.
>
>  
>
> Best regards
>
>  
>
> Matthias
>
>  
>
> *From:* c... at googlegroups.com <c... at googlegroups.com> *On Behalf Of *Jerry 
> Tanoury
> *Sent:* Montag, 29. Juli 2019 16:21
> *To:* cp2k <c... at googlegroups.com>
> *Subject:* [CP2K:12000] Plumed2 error during CP2K build
>
>  
>
> Dear Forum,
>
>  
>
> I am building CP2K using commit dba3465 from the dashboard, but I'm 
> getting the following Plumed2 related error in the attached file.  I have 
> also attached my arch file.  I greatly appreciate any help on fixing this.
>
>  
>
> Best regards,
>
> Jerry
>
> -- 
> 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 c... at googlegroups.com.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/c45aaed5-64cb-4760-b6bb-ac688fda2813%40googlegroups.com 
> <https://groups.google.com/d/msgid/cp2k/c45aaed5-64cb-4760-b6bb-ac688fda2813%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
>
> -- 
> 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 c... at googlegroups.com <javascript:>.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/5e7e9890-557c-48f9-b0d2-6c71cb0d57e1%40googlegroups.com 
> <https://groups.google.com/d/msgid/cp2k/5e7e9890-557c-48f9-b0d2-6c71cb0d57e1%40googlegroups.com?utm_medium=email&utm_source=footer>
> .
>
> -- 
> 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 c... at googlegroups.com <javascript:>.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/FCDF8CAC6EF2504E85F16873A7DF161A4E9BA534%40MBX114.d.ethz.ch 
> <https://groups.google.com/d/msgid/cp2k/FCDF8CAC6EF2504E85F16873A7DF161A4E9BA534%40MBX114.d.ethz.ch?utm_medium=email&utm_source=footer>
> .
>
> -- 
> 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 c... at googlegroups.com <javascript:>.
> To view this discussion on the web visit 
> https://groups.google.com/d/msgid/cp2k/CANa_qpFSfYpJP7YTHnmtpb9kWiiZvcwPQqoEnZA9cgAsEg5%3Dag%40mail.gmail.com 
> <https://groups.google.com/d/msgid/cp2k/CANa_qpFSfYpJP7YTHnmtpb9kWiiZvcwPQqoEnZA9cgAsEg5%3Dag%40mail.gmail.com?utm_medium=email&utm_source=footer>
> .
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190809/96729621/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: intel.popt
Type: application/octet-stream
Size: 2338 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190809/96729621/attachment.obj>