[Wien] compile time error during installation of wien2k 11 with the latest compilers

2011-07-07 Thread shamik chakrabarti
Dear Wien2k users,

  We are trying to install wien2k 11 in a Compaq
Laptop having core2duo processor by using the latest compilers (ifort+mkl).
The used OPTION is given below:

FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
LDFLAGS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32
-pthread
DPARALLEL:'-DParallel'
R_LIBS:-lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -openmp
-lpthread

using these OPTIONS when we compile all the programs the following errors
appeared:

Compile time errors (if any) were:

SRC_lapw0/compile.msg:W2kinit.F(28): error #5102: Cannot open include file '
mkl_vml.fi'

SRC_lapw0/compile.msg:make[1]: *** [W2kinit.o] Error 1

SRC_lapw0/compile.msg:make: *** [seq] Error 2


We are not able to figure out why these errors appear as *mkl_vml.fi is in
the include directory of mkl. *Another thing may be worthy to mention here
that although we are using core2duo processor, during installation of ifort
, the compiler choose the ia32 environment by itself.

Any response in this regard will be very helpful for us. Thanks in advance.

with regards,

-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics  Meteorology
Material Processing  Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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[Wien] compile time error during installation of wien2k 11 with the latest compilers

2011-07-07 Thread Peter Blaha
Probably because you installed a 32-bit Linux version on that laptop ???

and do you have the recommended source compilervars.sh ...  line in your 
.bashrc ??


Am 07.07.2011 11:56, schrieb shamik chakrabarti:

 Dear Wien2k users,

We are trying to install wien2k 11 in a Compaq 
 Laptop having core2duo processor by using the latest compilers (ifort+mkl). 
 The used OPTION is given below:

 FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
 LDFLAGS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -pthread
 DPARALLEL:'-DParallel'
 R_LIBS:-lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -openmp 
 -lpthread

 using these OPTIONS when we compile all the programs the following errors 
 appeared:

 Compile time errors (if any) were:

 SRC_lapw0/compile.msg:W2kinit.F(28): error #5102: Cannot open include file 
 'mkl_vml.fi http://mkl_vml.fi'

 SRC_lapw0/compile.msg:make[1]: *** [W2kinit.o] Error 1

 SRC_lapw0/compile.msg:make: *** [seq] Error 2


 We are not able to figure out why these errors appear as *mkl_vml.fi 
 http://mkl_vml.fi is in the include directory of mkl. *Another thing may be 
 worthy to mention here that
 although we are using core2duo processor, during installation of ifort , the 
 compiler choose the ia32 environment by itself.

 Any response in this regard will be very helpful for us. Thanks in advance.

 with regards,

 --
 Shamik Chakrabarti
 Research Scholar
 Dept. of Physics  Meteorology
 Material Processing  Solid State Ionics Lab
 IIT Kharagpur
 Kharagpur 721302
 INDIA



 ___
 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.at
 http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien

-- 

   P.Blaha
--
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/theochem/
--


[Wien] compile time error during installation of wien2k 11 with the latest compilers

2011-07-07 Thread Shamik Chakrabarti
Dear Peter Blaha Sir,

Yes we have installed 32 bit linux version on that laptop.

do you have the recommended source compilervars.sh ...  line in your
.bashrc ??

 No Sir, we do not have such line in .bashrc.this file only contains the
lines added by Xcrysden during its installation and also the lines:

# Source global definitions
if  [ -f /etc/bashrc ]; then
  .  /etc/bashrc
fi
#User specific aliases and functions


with best regards,

On Thu, Jul 7, 2011 at 3:38 PM, Peter Blaha pblaha at 
theochem.tuwien.ac.atwrote:

 Probably because you installed a 32-bit Linux version on that laptop ???

 and do you have the recommended source compilervars.sh ...  line in
 your .bashrc ??


 Am 07.07.2011 11:56, schrieb shamik chakrabarti:


 Dear Wien2k users,

   We are trying to install wien2k 11 in a Compaq
 Laptop having core2duo processor by using the latest compilers (ifort+mkl).
 The used OPTION is given below:

 FOPT:-FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
 LDFLAGS:-L/home/avijitghosh/**intel/composerxe-2011.4.191/**mkl/lib/ia32
 -pthread
 DPARALLEL:'-DParallel'
 R_LIBS:-lmkl_lapack95 -lmkl_intel -lmkl_intel_thread -lmkl_core -openmp
 -lpthread

 using these OPTIONS when we compile all the programs the following errors
 appeared:

 Compile time errors (if any) were:

 SRC_lapw0/compile.msg:W2kinit.**F(28): error #5102: Cannot open include
 file 'mkl_vml.fi http://mkl_vml.fi'


 SRC_lapw0/compile.msg:make[1]: *** [W2kinit.o] Error 1

 SRC_lapw0/compile.msg:make: *** [seq] Error 2


 We are not able to figure out why these errors appear as *mkl_vml.fi 
 http://mkl_vml.fi is in the include directory of mkl. *Another thing may
 be worthy to mention here that

 although we are using core2duo processor, during installation of ifort ,
 the compiler choose the ia32 environment by itself.

 Any response in this regard will be very helpful for us. Thanks in
 advance.

 with regards,

 --
 Shamik Chakrabarti
 Research Scholar
 Dept. of Physics  Meteorology
 Material Processing  Solid State Ionics Lab
 IIT Kharagpur
 Kharagpur 721302
 INDIA



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 --

  P.Blaha
 --**--**
 --
 Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
 Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
 Email: blaha at theochem.tuwien.ac.atWWW: http://info.tuwien.ac.at/**
 theochem/ http://info.tuwien.ac.at/theochem/
 --**--**
 --
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 Wien mailing list
 Wien at zeus.theochem.tuwien.ac.**at Wien at zeus.theochem.tuwien.ac.at
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-- 
Shamik Chakrabarti
Research Scholar
Dept. of Physics  Meteorology
Material Processing  Solid State Ionics Lab
IIT Kharagpur
Kharagpur 721302
INDIA
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