<div dir="ltr"><div>Thank you for your reply. As I am new in LINUX operating system I could not follow you initially sorry for that. However I am using <br></div><div><br></div><div>Ubuntu 18.04.1 LTS</div><div>Memory 31.3 GiB</div><div>processor Intel® Core™ i7-7700 CPU @ 3.60GHz × 8 </div><div>Graphics Intel® HD Graphics 630 (Kaby Lake GT2)</div><div>GNOME 3.28.2</div><div>OS type 64-bit</div><div>Disk 200.6 GB</div><div>Please inform me what are the information you need to analyze the errors. I will try to provide you.<br></div><div><br></div><div>this time I have used all the recommended options for compiler and linker <br></div><div><br></div><div><br></div><div>***********************************************************************<br> * Specify compiler and linker options *<br> ***********************************************************************<br><br><br> Recommended options for system linuxgfortran are:<br> Compiler options: -ffree-form -O2 -ffree-line-length-none<br> Linker Flags: $(FOPT) -L../SRC_lib<br> Preprocessor flags: '-DParallel'<br> R_LIB (LAPACK+BLAS): /opt/libopenblas /opt/liblapack -lpthread<br><br> Current settings:<br> O Compiler options: -ffree-form -O2 -ffree-line-length-none<br> L Linker Flags: $(FOPT)<br> P Preprocessor flags '-DParallel'<br> R R_LIBS (LAPACK+BLAS): /opt/libopenblas /opt/liblapack -lpthread<br> X LIBX options: -DLIBXC -I/opt/etsf/include<br> LIBXC-LIBS: -L/opt/etsf/lib/ -lxcf03 -lxc<br></div><div><br></div><div>I have got the attached error while compiling.<br></div><div><br></div><div>Thanking you</div><div>Indranil<br></div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr">On Sat, Sep 1, 2018 at 4:28 PM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">As I previously said, ilp64 is wrong, you should use lp64.<br>
<br>
Also, with the given information, I doubt anybody can help you. What <br>
BLAS and lapack libraries are you using as I don't see which ones you <br>
are using in your R_LIBS? What are the compile.msg errors after your <br>
BLAS and lapack settings are added to R_LIBS?<br>
<br>
Regarding Compiler options, I would use "-ffree-form -O2 <br>
-ffree-line-length-none" (the ones seen as recommended).<br>
<br>
Regarding Linker Flags, if you are using WIEN2k's lapack, I would leave <br>
-L../SRC_lib and add -llapack_lapw to R_LIB like I did in [1]. If you <br>
are using an operating system or your own lapack, then I would remove <br>
-L../SRC_lib.<br>
<br>
Regarding Preprocessor flags, looks fine, leave as is.<br>
<br>
Regarding R_LIBS (LAPACK+BLAS), I would use "/opt/libopenblas <br>
/opt/liblapack -lpthread" (the ones seen as recommended). However, I <br>
would change "/opt/libopenblas" and "/opt/liblapack" depending on what <br>
BLAS and lapack you are using, respectively. As I already mentioned, I <br>
use WIEN2k's -llapack_lapw for the lapack. For BLAS, I use OpenBLAS. So <br>
I replace "/opt/libopenblas" with "-L/home/username/OpenBLAS-0.2.20 <br>
-lopenblas" where my user name is ubuntu as you see at [1]. Thus at <br>
[1], the R_LIBS settings are:<br>
<br>
-L/home/ubuntu/OpenBLAS-0.2.20 -lopenblas -llapack_lapw -lpthread<br>
<br>
Though, if you are using Intel mkl [ <br>
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17339.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17339.html</a> <br>
], an operating system, or your own BLAS, you would have to adjust your <br>
settings appropriately.<br>
<br>
Regarding LIBX options and LIBXC-LIBS, looks fine as long as libxc is <br>
installed in the directory /opt/etsf (I usually install it in the home <br>
directory as seen in [1]).<br>
<br>
[1] <br>
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html" rel="noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17175.html</a><br>
<br>
<br>
On 9/1/2018 9:45 AM, Indranil mal wrote:<br>
> I have used LG while configuring the system<br>
><br>
> Could you please tell me what would be the compiler and linker <br>
> settings for my system. I have used the following<br>
><br>
><br>
> Recommended options for system linuxgfortran are:<br>
> Compiler options: -ffree-form -O2 -ffree-line-length-none<br>
> Linker Flags: $(FOPT) -L../SRC_lib<br>
> Preprocessor flags: '-DParallel'<br>
> R_LIB (LAPACK+BLAS): /opt/libopenblas /opt/liblapack -lpthread<br>
><br>
> Current settings:<br>
> O Compiler options: -ffree-form -O2 -ffree-line-length-none <br>
> -fdefault-integer-8 -m64 -I${MKLROOT}/include<br>
><br>
> L Linker Flags: $(FOPT)<br>
><br>
> P Preprocessor flags '-DParallel'<br>
><br>
> R R_LIBS (LAPACK+BLAS): -Wl,--start-group <br>
> ${MKLROOT}/lib/intel64/libmkl_gf_ilp64.a <br>
> ${MKLROOT}/lib/intel64/libmkl_gnu_thread.a <br>
> ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -lgomp -lpthread <br>
> -lm -ldl<br>
><br>
> X LIBX options: -DLIBXC -I/opt/etsf/include<br>
> LIBXC-LIBS: -L/opt/etsf/lib/ -lxcf03 -lxc<br>
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</blockquote></div>