<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;" dir="ltr">
<p><i>Dear QE-users,</i></p>
<p><i><br>
</i></p>
<p><i>I am facing problem while installing QE 7.1. Below are my installation settings. I am able to install QE 7.0 with the same settings without any issue. Kindly help.</i></p>
<p><i><br>
</i></p>
<p><i>I configured QE with the following commands:</i></p>
<p><br>
</p>
<p></p>
<div>module load impi/2022.2<br>
export SRC=/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1<br>
export INTELMPI=/share1/intel/oneapi/2022/mpi/2021.6.0<br>
export MKLROOT=/share1/intel/oneapi/2022/mkl/2022.1.0<br>
<br>
./configure --prefix=/home/psmanyam/a-appsoft/installs/qe-7.0 --enable-parallel --with-scalapack=intel --with-cuda=no --with-cuda-mpi=no \<br>
FC=ifort MPIF90=mpiifort CC=icc CXX=icpc F77=ifort \<br>
LAPACK_LIBS="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" \<br>
BLAS_LIBS="-L$MKLROOT/lib/intel64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core" \<br>
MPI_LIBS="-L$INTELMPI/lib" \<br>
DFLAGS="-D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA" \<br>
IFLAGS="-I$SRC/include -I$SRC/FoX/finclude" \<br>
SCALAPACK_LIBS="-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64" \<br>
CFLAGS="-O3" \<br>
FFLAGS="-O3 -axCORE-AVX2,CORE-AVX512" \<br>
LDFLAGS="-static-intel"</div>
<div><br>
</div>
<div><i>After configuring, I ran the command: 'make all' and I get the following error when the code enters the directory 'upflib'. Here are the last few lines.</i></div>
<div><br>
</div>
<div>
<div>I../UtilXlib -I../external/devxlib/src -c simpsn.f90<br>
simpsn.f90(9): remark #15009: simpson_ has been targeted for automatic cpu dispatch<br>
simpsn.f90(57): remark #15009: simpson_cp90_ has been targeted for automatic cpu dispatch<br>
simpsn.f90(100): remark #15009: herman_skillman_int_ has been targeted for automatic cpu dispatch<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c upf_parallel_include.f90<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c upf_error.f90<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c upf_ions.f90<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c write_upf_new.f90<br>
write_upf_new.f90(493): remark #15009: write_upf_new_mp_write_pp_nonlocal_ has been targeted for automatic cpu dispatch<br>
write_upf_new.f90(654): remark #15009: write_upf_new_mp_write_pp_pswfc_ has been targeted for automatic cpu dispatch<br>
write_upf_new.f90(694): remark #15009: write_upf_new_mp_write_pp_full_wfc_ has been targeted for automatic cpu dispatch<br>
write_upf_new.f90(812): remark #15009: write_upf_new_mp_write_pp_gipaw_ has been targeted for automatic cpu dispatch<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c ylmr2.f90
<br>
ylmr2.f90(9): remark #15009: ylmr2_ has been targeted for automatic cpu dispatch<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c dom.f90<br>
dom.f90(474): remark #15009: dom_mp_extractdataattribute_iv_ has been targeted for automatic cpu dispatch<br>
dom.f90(548): remark #15009: dom_mp_extractdatacontent_iv_ has been targeted for automatic cpu dispatch<br>
dom.f90(585): remark #15009: dom_mp_extractdatacontent_rv_ has been targeted for automatic cpu dispatch<br>
dom.f90(607): remark #15009: dom_mp_extractdatacontent_rm_ has been targeted for automatic cpu dispatch<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c wxml.f90<br>
wxml.f90(133): remark #15009: wxml_mp_xml_addattribute_rv_ has been targeted for automatic cpu dispatch<br>
wxml.f90(149): remark #15009: wxml_mp_xml_addattribute_iv_ has been targeted for automatic cpu dispatch<br>
wxml.f90(326): remark #15009: wxml_mp_xml_addcharacters_rv_ has been targeted for automatic cpu dispatch<br>
wxml.f90(356): remark #15009: wxml_mp_xml_addcharacters_rm_ has been targeted for automatic cpu dispatch<br>
wxml.f90(403): remark #15009: wxml_mp_xml_addcharacters_iv_ has been targeted for automatic cpu dispatch<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c dylmr2_gpu.f90<br>
dylmr2_gpu.f90(9): remark #15009: dylmr2_gpu_ has been targeted for automatic cpu dispatch<br>
mpiifort -O3 -axCORE-AVX2,CORE-AVX512 -nomodule -fpp -allow nofpp_comments -D__INTEL -D__FFTW -D__MPI -D__SCALAPACK -D__PARA -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1//external/devxlib/src -I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/include
-I/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/FoX/finclude -I../UtilXlib -I../external/devxlib/src -c gen_us_dj_gpu.f90<br>
gen_us_dj_gpu.f90(25): error #7002: Error in opening the compiled module file. Check INCLUDE paths. [DEVICE_FBUFF_M]<br>
USE device_fbuff_m, ONLY: dev_buf<br>
------^<br>
gen_us_dj_gpu.f90(25): error #6580: Name in only-list does not exist or is not accessible. [DEV_BUF]<br>
USE device_fbuff_m, ONLY: dev_buf<br>
------------------------------^<br>
gen_us_dj_gpu.f90(12): warning #6843: A dummy argument with an explicit INTENT(OUT) declaration is not given an explicit value. [DVKB_D]<br>
omega, nr1, nr2, nr3, eigts1_d, eigts2_d, eigts3_d, mill_d, g_d, dvkb_d )<br>
------------------------------------------------------------------------^<br>
compilation aborted for gen_us_dj_gpu.f90 (code 1)<br>
make[1]: *** [../make.inc:16: gen_us_dj_gpu.o] Error 1<br>
make[1]: Leaving directory '/home/psmanyam/a-appsoft/downloads/QE7.1_as_it_is/qe-7.1/upflib'<br>
make: *** [Makefile:212: libupf] Error 1</div>
<div><br>
</div>
<div><br>
</div>
</div>
<div><i><span>I get same errors even with gcc 11.2 / Open MPI 4.1.1 and AOCL libraries 3.0-6. So I guess it is not a problem with intel.</span></i></div>
<div><i>My understanding is that it is coming GPU related stuff. Is there an option to turn off GPU usage?</i></div>
<div><i>Thank you for your help.<br>
</i></div>
<div><br>
</div>
<div><i>Sincerely,</i></div>
<div><i>Subrahmanyam</i></div>
<p></p>
<div id="Signature">
<div id="divtagdefaultwrapper" dir="ltr" style="font-size: 12pt; color: rgb(0, 0, 0); font-family: Calibri, Helvetica, sans-serif, "EmojiFont", "Apple Color Emoji", "Segoe UI Emoji", NotoColorEmoji, "Segoe UI Symbol", "Android Emoji", EmojiSymbols;">
<p></p>
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr">
<div>
<div dir="ltr"><span>===========================</span></div>
<div dir="ltr"><span>Subrahmanyam Pattamatta<br>
Research Fellow<br>
Mechanical Engineering<br>
The University of Hong Kong</span></div>
<div dir="ltr"><span><span>===========================</span></span></div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
<p></p>
</div>
</div>
</div>
</body>
</html>