[CP2K:7672] Re: CP2K compiling on CRAYXC40 - cuda version using gnu compiler
amanjin... at gmail.com
Thu Apr 14 07:10:25 UTC 2016
Thanks your valuable response. I tried compiling cp2k after removing the
flag "-mavx" , but I am getting the following error:
collect2: error: ld returned 1 exit status
Plumed was compiled using the following commands:
1) ./configure CXX=CC CC=cc F77=ftn F90=ftn --prefix=/path/for/exe
3) make install
On Wed, Apr 13, 2016 at 4:52 PM, Alfio Lazzaro <alfio.... at gmail.com>
> Dear Aman,
> in your arch file I see that you are using "-mavx" flag. Could you remove
> it and try to recompile? Your error message says that there is something
> wrong with the flags used for the compilation (I assume the vector
> instructions), and from your last email it is seems that there is something
> wrong with PLUMED. Do you know how it was compiled?
> Il giorno mercoledì 13 aprile 2016 11:55:02 UTC+2, Aman Jindal ha scritto:
>> Hello Samuel Andermatt,
>> I found that this error is coming only if I am compiling CP2K(version
>> 3.0) with plumed (version 2.2.1). Because I compiled cp2k with and without
>> plumed today using CRAY-XC30-gfortran.psmp (this time without cuda) arch
>> file. Now without plumed, it is working fine, but with plumed it is giving
>> the same error (mentioned earlier).
>> Do you have any idea how can I resolve this issue..
>> Thank you,
>> On Tue, Apr 12, 2016 at 6:36 PM, Aman Jindal <amanj... at gmail.com>
>>> Hi, I used CRAY-XC30-gfortran-cuda.psmp arch file and I have gcc-5.2.0
>>> version. Attached is the modified arch file.
>>> Thank you
>>> On Tuesday, April 12, 2016 at 6:21:25 PM UTC+5:30, Samuel Andermatt
>>>> Which arch file did you use and which compiler version do you have?
>>> 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 cp2k+... at googlegroups.com.
>>> To post to this group, send email to cp... at googlegroups.com.
>>> Visit this group at https://groups.google.com/group/cp2k.
>>> For more options, visit https://groups.google.com/d/optout.
> 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 cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at https://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the CP2K-user