[Wien] error in compilation

2013-03-15 Thread Mathrubutham Rajagopalan 
Dear Developers and Users,

Recently we purchased a DELL power edge T620 server .
We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used
Composer_xe_2013.2.146
options used:
Compiler options:  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -
LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64
R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread
-lmkl_core -lpthread
we tried to install Wien2k_12.1 version and we are getting the following
errors, which is attached herewith.
kindly suggest how to rectify the errors.
Thanking you in advance

*
Dr M.Rajagopalan
Emeritus Scientist (CSIR)
Crystal Growth Center20 6th Main Road
Anna University  Chromepet
Chennai 600 025 Chennai 600 044
Phone #  22213023 (R)
 22359208 (O)
Mobile  9445125709

*
-- next part --
An HTML attachment was scrubbed...
URL: 

-- next part --
A non-text attachment was scrubbed...
Name: compilation errors
Type: application/octet-stream
Size: 3142 bytes
Desc: not available
URL:

[Wien] error in compilation

2013-03-15 Thread Gavin Abo 
Try the following shown below.

On 3/15/2013 1:01 AM, Mathrubutham Rajagopalan wrote:
> Dear Developers and Users,
>
> Recently we purchased a DELL power edge T620 server .
> We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used 
> Composer_xe_2013.2.146
> options used:
> Compiler options:  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -
> LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64-I/opt/intel/composer_xe_2013.2.146/mkl/include
> R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64 
> -lmkl_intel_thread -lmkl_core -openmp -lpthread
> we tried to install Wien2k_12.1 version and we are getting the 
> following errors, which is attached herewith.
> kindly suggest how to rectify the errors.
> Thanking you in advance
>
> */
> Dr M.Rajagopalan
> Emeritus Scientist (CSIR)
> Crystal Growth Center20 6th Main Road
> Anna University  Chromepet
> Chennai 600 025 Chennai 600 044
> Phone #  22213023 (R)
>  22359208 (O)
> Mobile  9445125709
>
> /*

-- next part --
An HTML attachment was scrubbed...
URL:

[Wien] error in compilation

2013-03-18 Thread Mathrubutham Rajagopalan 
Dear Dr Gavin,

Thanks for your response  As per your suggestion I modified but still I  am
getting the same error  can not open include file "mkl_vml_fi " Will you
kindly suggest

Regards and greetings

Rajagopalan

On Fri, Mar 15, 2013 at 6:25 AM, Gavin Abo  wrote:

>  Try the following shown below.
>
>
> On 3/15/2013 1:01 AM, Mathrubutham Rajagopalan wrote:
>
> Dear Developers and Users,
>
> Recently we purchased a DELL power edge T620 server .
> We have installed Ubuntu 12.04LS OS and for the ifort and mkl we used
> Composer_xe_2013.2.146
> options used:
> Compiler options:  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -
> LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64 -I
> /opt/intel/composer_xe_2013.2.146/mkl/include
> R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64
> -lmkl_intel_thread -lmkl_core -openmp -lpthread
>
> we tried to install Wien2k_12.1 version and we are getting the following
> errors, which is attached herewith.
> kindly suggest how to rectify the errors.
> Thanking you in advance
>
>
> *
> Dr M.Rajagopalan
> Emeritus Scientist (CSIR)
> Crystal Growth Center20 6th Main Road
> Anna University  Chromepet
> Chennai 600 025 Chennai 600 044
> Phone #  22213023 (R)
>  22359208 (O)
> Mobile  9445125709
>
> *
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>


-- 
*
Dr M.Rajagopalan
Emeritus Scientist (CSIR)
Crystal Growth Center20 6th Main Road
Anna University  Chromepet
Chennai 600 025 Chennai 600 044
Phone #  22213023 (R)
 22359208 (O)
Mobile  9445125709

*
-- next part --
An HTML attachment was scrubbed...
URL:

[Wien] error in compilation

2013-03-18 Thread Gavin Abo 
Does the file exist and have read access?

username at computername:~/Desktop$ cd 
/opt/intel/composer_xe_2013.2.146/mkl/include/
username at computername:/opt/intel/composer_xe_2013.2.146/mkl/include$ ls 
-l mkl_vml.fi
-- 1 root root 1373 Jan 25 06:10 mkl_vml.fi <= File exists, but 
can cause the cannot open error since there is no read access
username at computername:/opt/intel/composer_xe_2013.2.146/mkl/include$ 
sudo chmod +r mkl_vml.fi <=Fixes the read access
[sudo] password for username:
username at computername:/opt/intel/composer_xe_2013.2.146/mkl/include$ ls 
-l mkl_vml.fi
-r--r--r-- 1 root root 1373 Jan 25 06:10 mkl_vml.fi <= File exists and 
has read access

The prevent a different problem, I suggest changing "-LD_LIBRARY_PATH=" 
to "-L" in the Compiler options line.

On 3/17/2013 11:20 PM, Mathrubutham Rajagopalan wrote:
> Dear Dr Gavin,
>
> Thanks for your response  As per your suggestion I modified but still 
> I  am getting the same error  can not open include file "mkl_vml_fi " 
> Will you kindly suggest
>
> Regards and greetings
>
> Rajagopalan
>
> On Fri, Mar 15, 2013 at 6:25 AM, Gavin Abo  > wrote:
>
> Try the following shown below.
>
>
> On 3/15/2013 1:01 AM, Mathrubutham Rajagopalan wrote:
>> Dear Developers and Users,
>>
>> Recently we purchased a DELL power edge T620 server .
>> We have installed Ubuntu 12.04LS OS and for the ifort and mkl we
>> used Composer_xe_2013.2.146
>> options used:
>> Compiler options:  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -
>> 
>> LD_LIBRARY_PATH=/opt/intel/composer_xe_2013.2.146/mkl/lib/intel64-I/opt/intel/composer_xe_2013.2.146/mkl/include
>> R_LIB (LAPACK+BLAS):-lmkl_lapack95_lp64 -lmkl_intel_lp64
>> -lmkl_intel_thread -lmkl_core -openmp -lpthread
>>
>> we tried to install Wien2k_12.1 version and we are getting the
>> following errors, which is attached herewith.
>> kindly suggest how to rectify the errors.
>> Thanking you in advance
>>
>>
>> */
>> Dr M.Rajagopalan
>> Emeritus Scientist (CSIR)
>> Crystal Growth Center20 6th Main Road
>> Anna University Chromepet
>> Chennai 600 025 Chennai 600 044
>> Phone #  22213023 (R)
>>  22359208 (O)
>> Mobile  9445125709
>>
>> /*
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> 
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>
>
>
>
> -- 
> */
> Dr M.Rajagopalan
> Emeritus Scientist (CSIR)
> Crystal Growth Center20 6th Main Road
> Anna University  Chromepet
> Chennai 600 025 Chennai 600 044
> Phone #  22213023 (R)
>  22359208 (O)
> Mobile  9445125709
>
> /*

-- next part --
An HTML attachment was scrubbed...
URL:

[Wien] error in compilation

2012-12-27 Thread Chemam faïçal 
Dear Wien user
in wien12 compilation with ifort 11.1 073 and impi 4 in fedora 16 system;
i've found lot of  error of libmkl not found.

ld: cannot find -libmkl_blas95.a
ld: cannot find -libmkl_lapack95.a
ld: cannot find -libmkl_cdft_core.a
ld: cannot find -libmkl_intel.a
ld: cannot find -libmkl_sequential.a
ld: cannot find -libmkl_core.a
ld: cannot find -libmkl_blacs_intelmpi.a

*Remark : in ./siteconfig_lapw; wien2k know all files of mkl library*

* the  ld.so.conf file is:*
include ld.so.conf.d/*.conf
/usr/lib/
/usr/lib/mpich2/lib/
/opt/intel/Compiler/11.1/073/mkl/lib/32
/opt/intel/Compiler/11.1/073/lib/ia32
/opt/intel/impi/4.1.0.024/lib

*and bash is configured like this*

source /opt/intel/Compiler/11.1/073/bin/ifortvars.sh ia32
source /opt/intel/Compiler/11.1/073/mkl/tools/environment/mklvars32.sh ia32
LD_LIBRARY_PATH=/opt/intel/Compiler/11.1/073/mkl/lib/32

regards
-- next part --
An HTML attachment was scrubbed...
URL:

[Wien] error in compilation

2012-12-27 Thread Gavin Abo 
In siteconfig, it looks like you might have used an unrecognized format 
"-libmkl_blas95.a".  Try replacing "lib" with "l" for "-lmkl_blas95" or 
without the dash in front "libmkl_blas95.a".

On 12/27/2012 11:50 AM, Chemam fa??al wrote:
> Dear Wien user
> in wien12 compilation with ifort 11.1 073 and impi 4 in fedora 16 
> system; i've found lot of  error of libmkl not found.
> ld: cannot find -libmkl_blas95.a
> ld: cannot find -libmkl_lapack95.a
> ld: cannot find -libmkl_cdft_core.a
> ld: cannot find -libmkl_intel.a
> ld: cannot find -libmkl_sequential.a
> ld: cannot find -libmkl_core.a
> ld: cannot find -libmkl_blacs_intelmpi.a
>
> */_Remark : in ./siteconfig_lapw; wien2k know all files of mkl library_/*
>
> * the  ld.so.conf file is:*
> include ld.so.conf.d/*.conf
> /usr/lib/
> /usr/lib/mpich2/lib/
> /opt/intel/Compiler/11.1/073/mkl/lib/32
> /opt/intel/Compiler/11.1/073/lib/ia32
> /opt/intel/impi/4.1.0.024/lib 
>
> *and bash is configured like this*
>
> source /opt/intel/Compiler/11.1/073/bin/ifortvars.sh ia32
> source /opt/intel/Compiler/11.1/073/mkl/tools/environment/mklvars32.sh 
> ia32
> LD_LIBRARY_PATH=/opt/intel/Compiler/11.1/073/mkl/lib/32
>
> regards
>
>
>
> ___
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- next part --
An HTML attachment was scrubbed...
URL:

[Wien] Error in compilation of lapw0

2021-01-07 Thread Vidit Zala 
Dear Sir,
I am trying to compile Wien2k version 19.1 on a system with intel Core i7 
processor (Haswell), having ubuntu-18.04.5 installed in it. I am using intel 
parallel_studio_xe_2019_update4_cluster_edition for libraries, with mpiifort 
and icc as compilers.

I have kept

Compiler option : -O3 -xCORE-AVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip 
-traceback -assume buffered_io -I$(MKLROOT)/include 
-I$(MKLROOT)/include/intel64/lp64

R_LIBS : -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_cdft_core 
-lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 
-lpthread -lm -ldl

During the compilation of lapw0, I am getting an error saying,

ld: cannot find 
-/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64: File format 
not recognized
Makefile:131: recipe for target 'lapw0' failed
make[1]: *** [lapw0] Error 1
make[1]: Leaving directory '-/Wien2k/SRC_lapw0'
Makefile:120: recipe for target 'seq' failed
make: *** [seq] Error 2
make: *** No rule to make target 'complex'.  Stop.


What should I do? Please guide me.

Thank you.
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Re: [Wien] Error in compilation of lapw0

2021-01-07 Thread Laurence Marks 
My guess is that you have not appropriately setup $MKLROOT. Try the command
"ls -l $MKLROOT" and check whether it is right and you have permissions.
The default path has an "/opt" in front which you are missing. (But you
might have installed to /intel rather than /opt/intel.) Did you source the
relevant intel scripts to setup the paths or do it by hand?

N.B., you can avoid many of these issues by just using -mkl=parallel
although this may require editing the Makefile definitions a little since I
seem to remember that the configure script is not setup for this.

_
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Thu, Jan 7, 2021, 05:19 Vidit Zala 
wrote:

> Dear Sir,
> I am trying to compile Wien2k version 19.1 on a system with intel Core i7
> processor (Haswell), having ubuntu-18.04.5 installed in it. I am using
> intel parallel_studio_xe_2019_update4_cluster_edition for libraries, with
> mpiifort and icc as compilers.
>
> I have kept
>
> Compiler option : -O3 -xCORE-AVX2 -FR -mp1 -w -prec_div -pc80 -pad -ip
> -traceback -assume buffered_io -I$(MKLROOT)/include
> -I$(MKLROOT)/include/intel64/lp64
>
> R_LIBS : -L$(MKLROOT)/lib/intel64 -lmkl_scalapack_lp64 -lmkl_cdft_core
> -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64
> -lpthread -lm -ldl
>
> During the compilation of lapw0, I am getting an error saying,
>
> ld: cannot find
> -/intel/compilers_and_libraries_2019.4.243/linux/mkl/lib/intel64: File
> format not recognized
> Makefile:131: recipe for target 'lapw0' failed
> make[1]: *** [lapw0] Error 1
> make[1]: Leaving directory '-/Wien2k/SRC_lapw0'
> Makefile:120: recipe for target 'seq' failed
> make: *** [seq] Error 2
> make: *** No rule to make target 'complex'.  Stop.
>
>
> What should I do? Please guide me.
>
> Thank you.
> ___
> Wien mailing list
> Wien@zeus.theochem.tuwien.ac.at
>
> https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dx7jK2p_pCNHjgQOrWlvZZnkUYZECXhhDqKYVTrMULQ-Xl2A-_NxBrk5jYaPh8jiEmuc0A$
> SEARCH the MAILING-LIST at:
> https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Dx7jK2p_pCNHjgQOrWlvZZnkUYZECXhhDqKYVTrMULQ-Xl2A-_NxBrk5jYaPh8iV4Rd2Ug$
>
___
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html