[Wien] error during compilation (siteconfig_lapw)

Gerhard Fecher fecher at uni-mainz.de
Wed Jun 1 09:30:00 CEST 2011 

I guess you mix arbitrarily options from different Versions,
why don't you use the suggestions of Intel 
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
it is hard to estimate which options you need, without knowing for example what memory model,
you like to use

The composer should come with IFORT and MKL, so I do not see any reason why you use an old
outdated fc 10.1 version.

if you use a 32 bit system (why to use the 32 bit version on a modern core duo processor at all ?)
then I am sure that the next error message that you have will be a segmentation fault 
(search this forum and you will find the questions and answers very often)

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "shamik chakrabarti [shamikphy at gmail.com]
Gesendet: Dienstag, 31. Mai 2011 18:26
Bis: A Mailing list for WIEN2k users
Betreff: Re: [Wien] error during compilation (siteconfig_lapw)

Dear Dr. Gerhard Fecher, Dr. Ramkumar Thapa and wien2k users,

                      We have tried to install the compilers come in same package in the laptop but always get failed to install mkl. Then we have downloaded the above mentioned version of mkl (composerxe-2011.4.191) and able to install it in this system. We have previously installed fc and mkl under home directory in other systems and we have found no problems there. It is in this laptop only we are facing problem. Sir is anything wrong in the given compiler options?..... we can guess the problem is coming from the two links below

(1) LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread

(2) R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread

We are still getting the errors and not able to figure it out. Any response in this regard will be appreciated. Thanking you,

with best regards,

Shamik Chakrabarti

2011/5/31 Ramkumar Thapa <r.k.thapa at gmail.com<mailto:r.k.thapa at gmail.com>>
Dear Dr. Gerhard,
You are right but then usually compilers like ifc and mkl's are installed under root only.
R.K.Thapa
===========

On Tue, May 31, 2011 at 1:00 PM, Gerhard Fecher <fecher at uni-mainz.de<mailto:fecher at uni-mainz.de>> wrote:
Thats a matter of taste,
there is no need that the compiler is in a special directory,
you just have to ensure that your environment variables are set correctly.

Ciao
Gerhard

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at<mailto:wien-bounces at zeus.theochem.tuwien.ac.at> [wien-bounces at zeus.theochem.tuwien.ac.at<mailto:wien-bounces at zeus.theochem.tuwien.ac.at>]&quot; im Auftrag von &quot;Ramkumar Thapa [r.k.thapa at gmail.com<mailto:r.k.thapa at gmail.com>]
Gesendet: Dienstag, 31. Mai 2011 09:24
Bis: A Mailing list for WIEN2k users
Betreff: Re: [Wien] error during compilation (siteconfig_lapw)

Dear Shamik,
Your options :
current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread
------ in red should be under root NOT in /home/avijitghosh.
While installing your compiler and mkl files, you must have been under root.
Best wishes,
R.K.Thapa
Mizoram University
====================
2011/5/31 shamik chakrabarti <shamikphy at gmail.com<mailto:shamikphy at gmail.com><mailto:shamikphy at gmail.com<mailto:shamikphy at gmail.com>>>

Dear Dr. Peter Blaha Sir and Wien2k users,

               We are trying to install wien2k in a COMPAQ Laptop having core2duo processor. During siteconfig_lapw we have received the following error :
Compile time errors (if any) were:
SRC_aim/compile.msg:make[1]: *** [aim] Error 1
SRC_aim/compile.msg:make: *** [real] Error 2
SRC_aim/compile.msg:make[1]: *** [aimc] Error 1
SRC_aim/compile.msg:make: *** [complex] Error 2
SRC_cif2struct/compile.msg:make: *** [cif2struct] Error 1
SRC_lapw1/compile.msg:make[1]: *** [lapw1] Error 1
SRC_lapw1/compile.msg:make: *** [real] Error 2
SRC_lapw1/compile.msg:make[1]: *** [lapw1c] Error 1
SRC_lapw1/compile.msg:make: *** [complex] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2] Error 1
SRC_lapw2/compile.msg:make: *** [real] Error 2
SRC_lapw2/compile.msg:make[1]: *** [lapw2c] Error 1
SRC_lapw2/compile.msg:make: *** [complex] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdm] Error 1
SRC_lapwdm/compile.msg:make: *** [real] Error 2
SRC_lapwdm/compile.msg:make[1]: *** [lapwdmc] Error 1
SRC_lapwdm/compile.msg:make: *** [complex] Error 2
SRC_lapwso/compile.msg:make: *** [lapwso] Error 1
SRC_mini/compile.msg:make: *** [mini] Error 1
SRC_pairhess/compile.msg:make: *** [pairhess] Error 1
SRC_qtl/compile.msg:make: *** [qtl] Error 1
SRC_spacegroup/compile.msg:make: *** [spacegroup] Error 1
SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry] Error 1
SRC_structeditor/SRC_structgen/compile.msg:make: *** [structgen] Error 1

We check accordingly compile.msg files and are giving relevant area for your consideration:

CheckCSpline.f(162): (col. 17) remark: LOOP WAS VECTORIZED.
CheckCSpline.f(173): (col. 17) remark: LOOP WAS VECTORIZED.
CheckCSpline.f(1): (col. 18) remark: checkcspline_ has been targeted for automatic cpu dispatch.
ifort -o ./aim moduls.o charge.o  gbass.o  gener.o  aim.o main1.o  outin.o  radial.o  reduc.o  rsur.o rotat.o  rotate.o  rotato.o  rotdef1.o sternb.o sum.o  vnorm.o  ylm.o  dtylm.o  sumd.o  grhosphe.o dradial.o  gen_change.o  rotat_back.o  rotate_back.o gen_brav.o  interst.o  sphere.o  init.o  onestep.o rsurf.o  gauleg.o  critic.o  surf.o integrho.o follow.o interp.o cputim.o jacobi.o ludcmp.o spline.o doit.o dtdtylm.o sumdd.o hrhosphe.o matprod.o readcs.o dipole.o rho.o cossin.o  intlib.o davint.o d1mach.o sortag.o follown.o SplineFit.o CheckCSpline.o   -L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread -L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread
follown.o: In function `maxeigen_.J':
follown.f:(.text+0xcf): undefined reference to `dsyev_'
follown.o: In function `maxeigen_.A':
follown.f:(.text+0x1e3): undefined reference to `dsyev_'
follown.o: In function `stepper_.J':
follown.f:(.text+0x320): undefined reference to `dsyev_'
follown.o: In function `stepper_.A':
follown.f:(.text+0x61f): undefined reference to `dsyev_'
follown.o: In function `follown_.J':
follown.f:(.text+0xe35): undefined reference to `dsyev_'
follown.o:follown.f:(.text+0x1adb): more undefined references to `dsyev_' follow
make[1]: *** [aim] Error 1
make[1]: Leaving directory `/home/avijitghosh/Desktop/Wien2K_30-12-08/WIEN2k/SRC_aim'
make: *** [real] Error 2
if [ -f .real ]; then \
 make clean; \

Below we are giving the compiler options:

current:FOPT:-FR -mp1 -w -prec_div -pad -ip -O3 -axTW -traceback
current:FPOPT:$(FOPT)
current:LDFLAGS:-L/home/avijitghosh/intel/fc/10.1.018/lib -static-intel -Bstatic -lguide -lguide_stats -lsvml -Bdynamic -lpthread
current:DPARALLEL:'-DParallel'
current:R_LIBS:-L/home/avijitghosh/intel/composerxe-2011.4.191/mkl/lib/ia32 -Bstatic -lmkl_lapack -lmkl_ia32 -Bdynamic -lpthread
current:RP_LIBS:-lmkl_intel_lp64 -lmkl_scalapack_lp64 -lmkl_blacs_lp64 -lmkl_sequential -lmkl_em64t

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

with best regards,


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

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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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