Hello,
I did install pmemd before and it worked without problems. Now, I change my
computer and re-install again. I installed mpi version successfully but
when I tried to install gpu version I got following error message. How can
I solve this problem? I also added run_cmake file and nvcc/g++ versions:
ERROR MSG:
[ 77%] Built target cpptraj_common_obj_cuda
[ 77%] Building NVCC (Device) object
AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/cpptraj_cuda_routines_generated_GistCudaSetup.cu.o
nvcc fatal : Unsupported gpu architecture 'compute_75'
CMake Error at
cpptraj_cuda_routines_generated_GistCudaSetup.cu.o.RELEASE.cmake:217
(message):
Error generating
/mnt/d/amber22/amber22_src/build/AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir//./cpptraj_cuda_routines_generated_GistCudaSetup.cu.o
AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/build.make:84:
recipe for target
'AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/cpptraj_cuda_routines_generated_GistCudaSetup.cu.o'
failed
make[2]: ***
[AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/cpptraj_cuda_routines_generated_GistCudaSetup.cu.o]
Error 1
CMakeFiles/Makefile2:7257: recipe for target
'AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/all'
failed
make[1]: ***
[AmberTools/src/cpptraj/src/cuda_kernels/CMakeFiles/cpptraj_cuda_routines.dir/all]
Error 2
Makefile:151: recipe for target 'all' failed
make: *** [all] Error 2
--------------------------------------------------------------------------------
this is my run_cmake file
--------------------------------------------------------------------------------
#!/bin/bash
# This file gives some sample cmake invocations. You may wish to
# edit some options that are chosen here.
# For information on how to get cmake, visit this page:
#
https://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Quick-Start
# For information on common options for cmake, visit this page:
#
http://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options
# (Note that you can change the value of CMAKE_INSTALL_PREFIX from what
# is suggested below, but it cannot coincide with the amber22_src
# folder.)
AMBER_PREFIX=$(dirname $(dirname `pwd`))
if [ `uname -s|awk '{print $1}'` = "Darwin" ]; then
# For macOS:
if [ -x /Applications/CMake.app/Contents/bin/cmake ]; then
cmake=/Applications/CMake.app/Contents/bin/cmake
else
cmake=cmake
fi
$cmake $AMBER_PREFIX/amber22_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
-DCOMPILER=CLANG -DBLA_VENDOR=Apple \
-DMPI=FALSE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE \
2>&1 | tee cmake.log
else
# Assume this is Linux:
cmake $AMBER_PREFIX/amber22_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
-DCOMPILER=GNU \
-DMPI=TRUE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=TRUE \
2>&1 | tee cmake.log
fi
if [ ! -s cmake.log ]; then
echo ""
echo "Error: No cmake.log file created: you may need to edit run_cmake"
exit 1
fi
echo ""
echo "If the cmake build report looks OK, you should now do the following:"
echo ""
echo " make install"
echo " source $AMBER_PREFIX/amber22/amber.sh"
echo ""
echo "Consider adding the last line to your login startup script, e.g.
~/.bashrc"
echo ""
---------------------
VERSIONS
-----------------
gcc --version
gcc (Ubuntu 7.5.0-3ubuntu1~18.04) 7.5.0
Copyright (C) 2017 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
nvcc -V
nvcc: NVIDIA (R) Cuda compiler driver
Copyright (c) 2005-2017 NVIDIA Corporation
Built on Fri_Nov__3_21:07:56_CDT_2017
Cuda compilation tools, release 9.1, V9.1.85
------------
nvidia-smi
Fri Aug 12 20:21:23 2022
+-----------------------------------------------------------------------------+-
| NVIDIA-SMI 510.51 Driver Version: 511.69 CUDA Version: 11.6
|
|-------------------------------+----------------------+----------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute
M. |
| | | MIG
M. |
|===============================+======================+======================|
| 0 NVIDIA GeForce ... On | 00000000:01:00.0 Off |
N/A |
| N/A 46C P8 5W / N/A | 0MiB / 6144MiB | 0%
Default |
| | |
N/A |
+-------------------------------+----------------------+----------------------+
+-----------------------------------------------------------------------------+
| Processes:
|
| GPU GI CI PID Type Process name GPU
Memory |
| ID ID Usage
|
|=============================================================================|
| No running processes found
|
+-----------------------------------------------------------------------------+
-------------------------------------------------
sym link: ln -s /usr/lib/wsl/lib/nvidia-smi /usr/bin/nvidia-smi
-----------------------------------------------------
ls /usr/bin
2to3-2.7 mpif90
NF mpif90.openmpi
VGAuthService mpifort
X11 mpifort.openmpi
'[' mpirun
aa-enabled mpirun.openmpi
aa-exec mtr
aclocal mtr-packet
aclocal-1.15 mtrace
acpi_listen namei
add-apt-repository nawk
addpart ncal
addr2line neqn
apport-bug netkit-ftp
apport-cli networkd-dispatcher
apport-collect newgidmap
apport-unpack newgrp
appres newuidmap
apropos ngettext
apt nice
apt-add-repository nl
apt-cache nm
apt-cdrom nohup
apt-config nproc
apt-extracttemplates nroff
apt-ftparchive nsenter
apt-get nslookup
apt-key nstat
apt-mark nsupdate
apt-sortpkgs ntfsdecrypt
ar numfmt
arch nvcc
as nvdisasm
at nvidia-smi
atq nvlink
atrm nvprof
autoconf nvprune
autoheader nvvp
autom4te objcopy
automake objdump
automake-1.15 od
automat-visualize3 ompi-clean
autoreconf ompi-ps
autoscan ompi-server
autoupdate ompi-top
awk ompi_info
b2sum on_ac_power
base32 opal_wrapper
base64 opalc++
basename opalcc
bashbug openssl
batch orbd
bc orte-clean
bdftopcf orte-dvm
bdftruncate orte-ps
bin2c orte-server
bison orte-top
bison.yacc orted
bootctl orterun
bsd-from oshcc
bsd-write oshfort
busctl oshmem_info
byobu oshrun
byobu-config pack200
byobu-ctrl-a pager
byobu-disable partx
byobu-disable-prompt passwd
byobu-enable paste
byobu-enable-prompt pastebinit
byobu-export patch
byobu-janitor pathchk
byobu-keybindings pbget
byobu-launch pbput
byobu-launcher pbputs
byobu-launcher-install pcimodules
byobu-launcher-uninstall pdb
byobu-layout pdb2.7
byobu-prompt pdb3
byobu-quiet pdb3.6
byobu-reconnect-sockets peekfd
byobu-screen perl
byobu-select-backend perl5.26-x86_64-linux-gnu
byobu-select-profile perl5.26.1
byobu-select-session perlbug
byobu-shell perldoc
byobu-silent perlivp
byobu-status perlthanks
byobu-status-detail pftp
byobu-tmux pgrep
byobu-ugraph pic
byobu-ulevel pico
c++ piconv
c++filt pinentry
c89 pinentry-curses
c89-gcc pinky
c99 pip
c99-gcc pip2
c_rehash pkaction
cal pkcheck
calendar pkexec
captoinfo pkg-config
catchsegv pkill
catman pkttyagent
cautious-launcher pl2pm
cc pldd
cftp3 pmap
chacl png-fix-itxt
chage pngfix
chardet3 pod2html
chardetect3 pod2man
chattr pod2text
chcon pod2usage
check-language-support podchecker
chfn podselect
chrt policytool
chsh pollinate
ckbcomp pr
ckeygen3 preconv
cksum prename
clear print
clear_console printenv
cloud-id printerbanner
cloud-init printf
cloud-init-per prlimit
cmake prove
cmp prtstat
codepage psfaddtable
col psfgettable
col1 psfstriptable
col2 psfxtable
col3 pslog
col4 pstree
col5 pstree.x11
col6 ptar
col7 ptardiff
col8 ptargrep
col9 ptx
colcrt ptxas
colrm purge-old-kernels
column pwdx
comm py3clean
compose py3compile
conch3 py3versions
convcal pyclean
corelist pycompile
cpack pydoc
cpan pydoc2.7
cpan5.26-x86_64-linux-gnu pydoc3
cpp pydoc3.6
cpp-6 pygettext
cpp-7 pygettext2.7
crontab pygettext3
csplit pygettext3.6
ctail pyhtmlizer3
ctest pyjwt3
ctstat python
cuda-gdb python-config
cuda-gdbserver python2
cuda-memcheck python2-config
cudafe python2.7
cudafe++ python2.7-config
cuobjdump python3
curl python3-jsondiff
cut python3-jsonpatch
dbus-cleanup-sockets python3-jsonpointer
dbus-daemon python3-jsonschema
dbus-monitor python3.6
dbus-run-session python3.6m
dbus-send python3m
dbus-update-activation-environment pyvenv
dbus-uuidgen pyvenv-3.6
deallocvt pyversions
deb-systemd-helper rake
deb-systemd-invoke ranlib
debconf rcp
debconf-apt-progress rdma
debconf-communicate rdoc
debconf-copydb rdoc2.5
debconf-escape readelf
debconf-set-selections realpath
debconf-show rename
delpart rename.ul
delv renice
dh_autotools-dev_restoreconfig reset
dh_autotools-dev_updateconfig resize
dh_bash-completion resizecons
dh_numpy resizepart
dh_python2 rev
dh_xsf_substvars rgrep
diff rgview
diff3 rgvim
dig ri
dircolors ri2.5
dirmngr rlogin
dirmngr-client rmid
dirname rmiregistry
do-release-upgrade routef
dos2unix routel
dpkg rpcgen
dpkg-architecture rsh
dpkg-buildflags rsync
dpkg-buildpackage rtstat
dpkg-checkbuilddeps ruby
dpkg-deb ruby2.5
dpkg-distaddfile run-mailcap
dpkg-divert run-one
dpkg-genbuildinfo run-one-constantly
dpkg-genchanges run-one-until-failure
dpkg-gencontrol run-one-until-success
dpkg-gensymbols run-this-one
dpkg-maintscript-helper runcon
dpkg-mergechangelogs rview
dpkg-name rvim
dpkg-parsechangelog savelog
dpkg-query scp
dpkg-scanpackages screen
dpkg-scansources screendump
dpkg-shlibdeps script
dpkg-source scriptreplay
dpkg-split sdiff
dpkg-statoverride see
dpkg-trigger select-editor
dpkg-vendor sensible-browser
du sensible-editor
dumpkeys sensible-pager
dwp seq
eatmydata servertool
ec2metadata setarch
edit setfacl
editor setkeycodes
editres setleds
eject setlogcons
elfedit setmetamode
enc2xs setpci
encguess setsid
env setterm
envsubst sftp
eqn sg
erb sha1sum
erb2.5 sha224sum
eview sha256sum
evim sha384sum
ex sha512sum
expand shasum
expiry showconsolefont
expr showkey
f2py shred
f2py2.7 shuf
f77 size
f95 skill
factor slabtop
faillog slogin
faked-sysv snap
faked-tcp snapctl
fakeroot snapfuse
fakeroot-sysv snice
fakeroot-tcp soelim
fallocate sort
fatbinary sosreport
fc-cache sotruss
fc-cat splain
fc-list split
fc-match splitfont
fc-pattern sprof
fc-query ssh
fc-scan ssh-add
fc-validate ssh-agent
fdf2fit ssh-argv0
fi_info ssh-copy-id
fi_pingpong ssh-import-id
fi_strerror ssh-import-id-gh
file ssh-import-id-lp
file-rename ssh-keygen
find ssh-keyscan
flex stat
flex++ stdbuf
flock strace
fmt strace-log-merge
fold strings
fonttosfnt strip
free sudo
freetype-config sudoedit
from sudoreplay
ftp sum
funzip symcryptrun
g++ systemd-analyze
g++-6 systemd-cat
g++-7 systemd-cgls
gawk systemd-cgtop
gcc systemd-delta
gcc-6 systemd-detect-virt
gcc-7 systemd-mount
gcc-ar systemd-path
gcc-ar-6 systemd-resolve
gcc-ar-7 systemd-run
gcc-nm systemd-socket-activate
gcc-nm-6 systemd-stdio-bridge
gcc-nm-7 systemd-umount
gcc-ranlib tabs
gcc-ranlib-6 tac
gcc-ranlib-7 tail
gcov taskset
gcov-6 tbl
gcov-7 tcsh
gcov-dump tee
gcov-dump-6 telnet
gcov-dump-7 telnet.netkit
gcov-tool test
gcov-tool-6 tic
gcov-tool-7 time
gdk-pixbuf-thumbnailer timedatectl
gem timeout
gem2.5 tkconch3
gencat tload
geqn tmux
getconf tnameserv
getent toe
getfacl top
getkeycodes touch
getopt tput
gettext tr
gettext.sh tracepath
gfortran traceroute6
gfortran-7 traceroute6.iputils
ginstall-info trial3
git troff
git-receive-pack truncate
git-shell tset
git-upload-archive tsort
git-upload-pack tty
gold twist3
gpasswd twistd3
gpg tzselect
gpg-agent ua
gpg-connect-agent ubuntu-advantage
gpg-wks-server ubuntu-bug
gpg-zip ubuntu-core-launcher
gpgconf ubuntu-support-status
gpgparsemail ucf
gpgsm ucfq
gpgsplit ucfr
gpgv ucs2any
gpic ul
gprof unattended-upgrade
gpu-library-advisor unattended-upgrades
grace unexpand
grace-thumbnailer unicode_stop
gracebat uniq
grconvert unix2dos
groff unix2mac
grog unlink
grops unlzma
grotty unmkinitramfs
groups unpack200
growpart unshare
gtbl unsquashfs
gtk-update-icon-cache unxz
gview unzip
gvim unzipsfx
gvimdiff update-alternatives
gvimtutor update-mime-database
h2ph updatedb
h2xs updatedb.mlocate
hd uptime
head usb-devices
helpztags usbhid-dump
hexdump users
host utmpdump
hostid uuidgen
hostnamectl uuidparse
htop uxterm
hwe-support-status vcs-run
i386 vi
iconv view
id viewres
ifnames vigpg
igawk vim
info vim.basic
infobrowser vim.gtk
infocmp vim.tiny
infotocap vimdiff
install vimtutor
install-info vmhgfs-fuse
instmodsh vmstat
ionice vmtoolsd
ipcmk vmware-checkvm
ipcrm vmware-guestproxycerttool
ipcs vmware-hgfsclient
iptables-xml vmware-namespace-cmd
irb vmware-rpctool
irb2.5 vmware-toolbox-cmd
ischroot vmware-vgauth-cmd
iscsiadm vmware-vgauth-smoketest
java vmware-vmblock-fuse
jexec vmware-xferlogs
jjs volname
join w
json_pp w.procps
jsondiff wall
jsonpatch watch
jsonpointer watchgnupg
jsonschema wc
kbdinfo wget
kbxutil whatis
keep-one-running whereis
kernel-install which
keytool who
killall whoami
koi8rxterm wifi-status
landscape-sysinfo write
last wslfetch
lastb wslsys
lastlog wslupath
lcf wslusc
ld wslvar
ld.bfd wslview
ld.gold x-terminal-emulator
ldd x-www-browser
less x86_64
lessecho x86_64-linux-gnu-addr2line
lessfile x86_64-linux-gnu-ar
lesskey x86_64-linux-gnu-as
lesspipe x86_64-linux-gnu-c++filt
lex x86_64-linux-gnu-cpp
lexgrog x86_64-linux-gnu-cpp-6
libnetcfg x86_64-linux-gnu-cpp-7
libpng-config x86_64-linux-gnu-dwp
libpng16-config x86_64-linux-gnu-elfedit
libtoolize x86_64-linux-gnu-g++
link x86_64-linux-gnu-g++-6
linux-check-removal x86_64-linux-gnu-g++-7
linux-update-symlinks x86_64-linux-gnu-gcc
linux-version x86_64-linux-gnu-gcc-6
linux32 x86_64-linux-gnu-gcc-7
linux64 x86_64-linux-gnu-gcc-ar
listres x86_64-linux-gnu-gcc-ar-6
lnstat x86_64-linux-gnu-gcc-ar-7
loadkeys x86_64-linux-gnu-gcc-nm
loadunimap x86_64-linux-gnu-gcc-nm-6
locale x86_64-linux-gnu-gcc-nm-7
locale-check x86_64-linux-gnu-gcc-ranlib
localectl x86_64-linux-gnu-gcc-ranlib-6
localedef x86_64-linux-gnu-gcc-ranlib-7
locate x86_64-linux-gnu-gcov
logger x86_64-linux-gnu-gcov-6
logname x86_64-linux-gnu-gcov-7
look x86_64-linux-gnu-gcov-dump
lorder x86_64-linux-gnu-gcov-dump-6
lsattr x86_64-linux-gnu-gcov-dump-7
lsb_release x86_64-linux-gnu-gcov-tool
lscpu x86_64-linux-gnu-gcov-tool-6
lshw x86_64-linux-gnu-gcov-tool-7
lsinitramfs x86_64-linux-gnu-gfortran
lsipc x86_64-linux-gnu-gfortran-7
lslocks x86_64-linux-gnu-gold
lslogins x86_64-linux-gnu-gprof
lsmem x86_64-linux-gnu-ld
lsns x86_64-linux-gnu-ld.bfd
lsof x86_64-linux-gnu-ld.gold
lspci x86_64-linux-gnu-nm
lspgpot x86_64-linux-gnu-objcopy
lsusb x86_64-linux-gnu-objdump
ltrace x86_64-linux-gnu-pkg-config
luit x86_64-linux-gnu-python-config
lxc x86_64-linux-gnu-python2.7-config
lxcfs x86_64-linux-gnu-ranlib
lxd x86_64-linux-gnu-readelf
lxterm x86_64-linux-gnu-size
lzcat x86_64-linux-gnu-strings
lzcmp x86_64-linux-gnu-strip
lzdiff x86_64-pc-linux-gnu-pkg-config
lzegrep xargs
lzfgrep xauth
lzgrep xdelta3
lzless xdg-user-dir
lzma xdg-user-dirs-update
lzmainfo xdpyinfo
lzmore xdriinfo
m4 xev
mac2unix xfd
make xfontsel
make-first-existing-target xkill
man xlsatoms
mandb xlsclients
manifest xlsfonts
manpath xmessage
mapscrn xmgrace
mawk xprop
mcookie xsubpp
md5sum xterm
md5sum.textutils xvinfo
mdig xwininfo
mesg xxd
migrate-pubring-from-classic-gpg xz
miniterm xzcat
mk_modmap xzcmp
mkfifo xzdiff
mkfontdir xzegrep
mkfontscale xzfgrep
mksquashfs xzgrep
mlocate xzless
mpiCC xzmore
mpiCC.openmpi yacc
mpic++ yes
mpic++.openmpi zdump
mpicc zip
mpicc.openmpi zipcloak
mpicxx zipdetails
mpicxx.openmpi zipgrep
mpiexec zipinfo
mpiexec.openmpi zipnote
mpif77 zipsplit
mpif77.openmpi
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Received on Fri Aug 12 2022 - 10:30:03 PDT
