[Wien] Installation problem

Tue Oct 3 11:19:46 CEST 2017

You need an -L"DIR" where "DIR" is wherever OpenBlas is installed (perhaps
/usr/local/OpenBlas/lib), similarly for lapack. If a sys admin installed
them they would be in a location that is already detected, if you installed
them they are probably not.

Note, you need an -L entry for each different directory location where the
compiled libraries are.

---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
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On Oct 3, 2017 04:03, "Rajneesh Chaurasiya" <rajnano2012 at gmail.com> wrote:

> Dear Sir,
>
> I choose the compiler (gfortran compiler+openblas) and then compiler and
> linker options (R_LIB) i used -lopenblas -llapack -lpthread. but still
> found the similar error as previous one.
> i don't have system admin but also i don't have root password of cluster.
>
> 4.o vxc26.o vxclm2.o vxcpw2.o vxi35.o vxi35a.o vx_screened.o wc05.o
> workf1.o W2kutils.o xcener.o xcpot.o xcpot1.o xcpot3.o ykav.o ylm.o
> -ffree-form -O2 -ffree-line-length-none   -L../SRC_lib  -lopenblas -llapack
> -lpthread
> /usr/bin/ld: cannot find -llapack
> collect2: ld returned 1 exit status
> make[1]: *** [lapw0] Error 1
> make[1]: Leaving directory `/home/IITJHOME/faculty/phy/
> ambeshst/software/Wien2k/SRC_lapw0'
> make: *** [seq] Error 2
> make: Warning: File `Makefile' has modification time 1e+05 s in the future
> make: *** No rule to make target `complex'.  Stop.
> Copying programs
> WARNING: no executable found in SRC_lapw0. Check compile.msg in this
> directory
>
> done.
>
> Compile time errors (if any) were:
> make[1]: *** [lapw0] Error 1
> make: *** [seq] Error 2
> grep: No match.
> grep: No match.
>
>
> On Tue, Oct 3, 2017 at 11:16 AM, Rajneesh Chaurasiya <
> rajnano2012 at gmail.com> wrote:
>
>> Dear Sir,
>>
>> After your suggestion, error looks like
>> While, i alreday installed the lapack in cluster.
>>
>> gfortran -o ./lapw0 cputim.o modules.o  W2kinit.o fft_modules.o
>> reallocate.o acggac.o ainv.o ak13.o am05_xscss.o b88.o br89.o brj.o cap.o
>> charge.o chfac.o chslv.o corgga.o corpbe_revtpss.o corpbe_tpss.o
>> cub_xc_back.o corlsd.o dergl.o dfxhpbe.o dfxrevtpss.o dfxtpss.o drho.o
>> dylm.o efg.o energy.o epot1.o eramps.o errclr.o errflg.o ev92.o ev92ex.o
>> exch.o exch17.o fftpack_helpers.o fithi.o fxhpbe.o fx_revtpss.o fx_tpss.o
>> gbass.o gbj.o gcor.o gea.o geaex.o  getff1.o getfft.o gpoint.o gpointm.o
>> grans.o gtfnam.o hcthc.o hcthx.o hjs.o htbs.o id_func_get.o ifflim.o
>> inputpars.o kcis.o lapw0.o latgen.o lb94.o libxc.o lyp.o mbeefx.o mgga_ms.o
>> multfc.o multsu.o mvsx.o optb86b.o optb88.o outerr.o pbea.o pbec.o pbeint.o
>> pbex.o poissn.o potfac.o pwxad4.o pwxad5.o qranf.o readstruct.o rean0.o
>> rean1.o rean3.o rean4.o rge2.o rhopw.o rotate.o rotdef.o rpbe.o scanc.o
>> scanx.o setff0.o setff1.o setfft.o setff2.o seval.o sevald.o sevaldd.o
>> sevali.o sevalin.o sg4c.o sg4x.o sicpbe.o sicpbe_revtpss.o sicpbe_tm.o
>> sicpbe_tpss.o sphbes.o spline.o srolyl.o stern.o sumfac.o suml.o SymmRot.o
>> th1.o th2.o tmx.o vpw91.o vresp.o vs98.o vwn5.o vxc15.o vxc16.o vxc17.o
>> vxc24.o vxc26.o vxclm2.o vxcpw2.o vxi35.o vxi35a.o vx_screened.o wc05.o
>> workf1.o W2kutils.o xcener.o xcpot.o xcpot1.o xcpot3.o ykav.o ylm.o
>> -ffree-form -O2 -ffree-line-length-none   -L../SRC_lib  -llack_lapw
>> -lblas_lapw -llapack_lapw -lblas_lapw
>> /usr/bin/ld: cannot find -llack_lapw
>> collect2: ld returned 1 exit status
>> make[1]: *** [lapw0] Error 1
>> make[1]: Leaving directory `/home/IITJHOME/faculty/phy/am
>> beshst/software/Wien2k/SRC_lapw0'
>> make: *** [seq] Error 2
>> make: Warning: File `Makefile' has modification time 1e+05 s in the future
>> make: *** No rule to make target `complex'.  Stop.
>> Copying programs
>> WARNING: no executable found in SRC_lapw0. Check compile.msg in this
>> directory
>>
>> done.
>>
>> Compile time errors (if any) were:
>> make[1]: *** [lapw0] Error 1
>> make: *** [seq] Error 2
>> grep: No match.
>> grep: No match.
>>
>>
>> Check file   compile.msg   in the corresponding SRC_* directory for the
>> compilation log and more info on any compilation problem.
>>
>>
>>
>> On Mon, Oct 2, 2017 at 6:29 PM, Rajneesh Chaurasiya <
>> rajnano2012 at gmail.com> wrote:
>>
>>> Dear Wien2k users,
>>>
>>> I am installing Wien2k 17.1 in cluster using gfortran compiler and when
>>> i did the ./siteconfig_lapw but i already installed the lapack and blas.
>>>
>>> gfortran -o ./lapw0 cputim.o modules.o  W2kinit.o fft_modules.o
>>> reallocate.o acggac.o ainv.o ak13.o am05_xscss.o b88.o br89.o brj.o cap.o
>>> charge.o chfac.o chslv.o corgga.o corpbe_revtpss.o corpbe_tpss.o
>>> cub_xc_back.o corlsd.o dergl.o dfxhpbe.o dfxrevtpss.o dfxtpss.o drho.o
>>> dylm.o efg.o energy.o epot1.o eramps.o errclr.o errflg.o ev92.o ev92ex.o
>>> exch.o exch17.o fftpack_helpers.o fithi.o fxhpbe.o fx_revtpss.o fx_tpss.o
>>> gbass.o gbj.o gcor.o gea.o geaex.o  getff1.o getfft.o gpoint.o gpointm.o
>>> grans.o gtfnam.o hcthc.o hcthx.o hjs.o htbs.o id_func_get.o ifflim.o
>>> inputpars.o kcis.o lapw0.o latgen.o lb94.o libxc.o lyp.o mbeefx.o mgga_ms.o
>>> multfc.o multsu.o mvsx.o optb86b.o optb88.o outerr.o pbea.o pbec.o pbeint.o
>>> pbex.o poissn.o potfac.o pwxad4.o pwxad5.o qranf.o readstruct.o rean0.o
>>> rean1.o rean3.o rean4.o rge2.o rhopw.o rotate.o rotdef.o rpbe.o scanc.o
>>> scanx.o setff0.o setff1.o setfft.o setff2.o seval.o sevald.o sevaldd.o
>>> sevali.o sevalin.o sg4c.o sg4x.o sicpbe.o sicpbe_revtpss.o sicpbe_tm.o
>>> sicpbe_tpss.o sphbes.o spline.o srolyl.o stern.o sumfac.o suml.o SymmRot.o
>>> th1.o th2.o tmx.o vpw91.o vresp.o vs98.o vwn5.o vxc15.o vxc16.o vxc17.o
>>> vxc24.o vxc26.o vxclm2.o vxcpw2.o vxi35.o vxi35a.o vx_screened.o wc05.o
>>> workf1.o W2kutils.o xcener.o xcpot.o xcpot1.o xcpot3.o ykav.o ylm.o
>>> -ffree-form -O2 -ffree-line-length-none   -L../SRC_lib  llapack_lapw
>>> -lblas_lapw -llapack_lapw -lblas_lapw
>>> gfortran: llapack_lapw: No such file or directory
>>> make[1]: *** [lapw0] Error 1
>>> make[1]: Leaving directory `/home/IITJHOME/faculty/phy/am
>>> beshst/software/Wien2k/SRC_lapw0'
>>> make: *** [seq] Error 2
>>> make: Warning: File `Makefile' has modification time 1e+05 s in the
>>> future
>>> make: *** No rule to make target `complex'.  Stop.
>>> Copying programs
>>> WARNING: no executable found in SRC_lapw0. Check compile.msg in this
>>> directory
>>>
>>> done.
>>>
>>> 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_dipan/compile.msg:make: *** [dipan] Error 1
>>> SRC_dstart/compile.msg:make[1]: *** [dstart] Error 1
>>> SRC_dstart/compile.msg:make: *** [seq] Error 2
>>> SRC_filtvec/compile.msg:make[1]: *** [filtvec] Error 1
>>> SRC_filtvec/compile.msg:make: *** [real] Error 2
>>> SRC_filtvec/compile.msg:make[1]: *** [filtvecc] Error 1
>>> SRC_filtvec/compile.msg:make: *** [complex] Error 2
>>> SRC_hf/compile.msg:make[1]: *** [hf] Error 1
>>> SRC_hf/compile.msg:make: *** [real] Error 2
>>> SRC_hf/compile.msg:make[1]: *** [hfc] Error 1
>>> SRC_hf/compile.msg:make: *** [complex] Error 2
>>> SRC_IRelast/compile.msg:Error: Old-style type declaration REAL*16 not
>>> supported at (1)
>>> SRC_IRelast/compile.msg:make: *** [TWS.o] Error 1
>>> SRC_lapw0/compile.msg:make[1]: *** [lapw0] Error 1
>>> SRC_lapw0/compile.msg:make: *** [seq] Error 2
>>> 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_lapw5/compile.msg:make[1]: *** [lapw5] Error 1
>>> SRC_lapw5/compile.msg:make: *** [real] Error 2
>>> SRC_lapw5/compile.msg:make[1]: *** [lapw5c] Error 1
>>> SRC_lapw5/compile.msg:make: *** [complex] Error 2
>>> SRC_lapw7/compile.msg:make[1]: *** [lapw7] Error 1
>>> SRC_lapw7/compile.msg:make: *** [real] 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[1]: *** [lapwso] Error 1
>>> SRC_lapwso/compile.msg:make: *** [seq] Error 2
>>> SRC_lcore/compile.msg:make: *** [lcore] Error 1
>>> SRC_mini/compile.msg:make: *** [mini] Error 1
>>> SRC_mixer/compile.msg:make: *** [mixer] Error 1
>>> SRC_nlvdw/compile.msg:make[1]: *** [nlvdw] Error 1
>>> SRC_nlvdw/compile.msg:make: *** [seq] Error 2
>>> SRC_nmr/compile.msg:make[1]: *** [nmr] Error 1
>>> SRC_nmr/compile.msg:make: *** [real] Error 2
>>> SRC_nmr/compile.msg:make[1]: *** [nmrc] Error 1
>>> SRC_nmr/compile.msg:make: *** [complex] Error 2
>>> SRC_pairhess/compile.msg:make: *** [pairhess] Error 1
>>> SRC_qtl/compile.msg:make: *** [qtl] Error 1
>>> SRC_structeditor/compile.msg:make[1]: *** [ncmsymmetry] Error 1
>>> SRC_structeditor/compile.msg:make: *** [all] Error 2
>>> SRC_trig/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
>>> 'realloc_a_d3' in generic interface 'realloc' at (1)
>>> SRC_trig/compile.msg:make[1]: *** [lib/util_w2w.o] Error 1
>>> SRC_trig/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
>>> SRC_vecpratt/compile.msg:make[1]: *** [vecpratt] Error 1
>>> SRC_vecpratt/compile.msg:make: *** [real] Error 2
>>> SRC_vecpratt/compile.msg:make[1]: *** [vecprattc] Error 1
>>> SRC_vecpratt/compile.msg:make: *** [complex] Error 2
>>> SRC_w2w/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
>>> 'realloc_a_d3' in generic interface 'realloc' at (1)
>>> SRC_w2w/compile.msg:make: *** [lib/util_w2w.o] Error 1
>>> SRC_w2w/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
>>> 'realloc_a_d3' in generic interface 'realloc' at (1)
>>> SRC_w2w/compile.msg:make: *** [lib/util_w2w.o] Error 1
>>> SRC_wplot/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
>>> 'realloc_a_d3' in generic interface 'realloc' at (1)
>>> SRC_wplot/compile.msg:make[1]: *** [lib/util_w2w.o] Error 1
>>> SRC_wplot/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
>>> SRC_wplot/compile.msg:Error: Ambiguous interfaces 'realloc_a_p3' and
>>> 'realloc_a_d3' in generic interface 'realloc' at (1)
>>> SRC_wplot/compile.msg:make[1]: *** [lib/util_w2w.o] Error 1
>>> SRC_wplot/compile.msg:make: *** [../SRC_w2w/lib/util_w2w.o] Error 2
>>> SRC_structeditor/SRC_ncmsymmetry/compile.msg:make: *** [ncmsymmetry]
>>> Error 1
>>>
>>> Check file   compile.msg   in the corresponding SRC_* directory for the
>>> compilation log and more info on any compilation problem.
>>>
>>>
>>> --
>>> Thanks & Regards
>>> Rajneesh Chaurasiya
>>> Research Scholar
>>> IIT Jodhpur, India
>>> Mob. No. +91-9584499697
>>>               +91-7610950803
>>>
>>
>>
>>
>> --
>> Thanks & Regards
>> Rajneesh Chaurasiya
>> Research Scholar
>> IIT Jodhpur, India
>> Mob. No. +91-9584499697
>>               +91-7610950803
>>
>
>
>
> --
> Thanks & Regards
> Rajneesh Chaurasiya
> Research Scholar
> IIT Jodhpur, India
> Mob. No. +91-9584499697
>               +91-7610950803
>
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