Re: [AMBER] installing

From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
Date: Tue, 18 Feb 2020 09:08:44 -0300

Hi again!
Maybe this is the problem>>>>>
https://stackoverflow.com/questions/48835603/unable-to-use-all-cores-with-mpirun/48836143
check if this works:

*export DO_PARALLEL="mpirun -np $(nproc) --use-hwthread-cpus" make test*

El mar., 18 feb. 2020 a las 9:04, Gerardo Zerbetto De Palma (<
g.zerbetto.gmail.com>) escribió:

> No consequences. Just will take more time to make the test. I don't
> understand why mpirun does not allow to request the 8 CPUs you have.
> I am researching on this.
> Regards!
> Gera!
>
> El mar., 18 feb. 2020 a las 11:55, Nicolas Feldman (<nfeldman01.qub.ac.uk>)
> escribió:
>
>> Hi Ger,
>>
>> I also did that!: here is the output
>>
>>
>> Architecture: x86_64
>>
>> CPU op-mode(s): 32-bit, 64-bit
>>
>> Byte Order: Little Endian
>>
>> CPU(s): 8
>>
>> On-line CPU(s) list: 0-7
>>
>> Thread(s) per core: 2
>>
>> Core(s) per socket: 4
>>
>> Socket(s): 1
>>
>> Vendor ID: GenuineIntel
>>
>> CPU family: 6
>>
>> Model: 142
>>
>> Model name: Intel(R) Core(TM) i5-8250U CPU @ 1.60GHz
>>
>> Stepping: 10
>>
>> CPU MHz: 1800.000
>>
>> CPU max MHz: 1800.0000
>>
>> BogoMIPS: 3600.00
>>
>> Virtualization: VT-x
>>
>> Hypervisor vendor: Windows Subsystem for Linux
>>
>> Which consequences could it take to only requesting two processes
>>
>> Nicolas Feldman
>> PhD Student
>> The Wellcome-Wolfson Institute for Experimental Medicine
>> Queen's University of Belfast; 97 Lisburn Rd. Belfast, UK BT9 7BL
>>
>> -----Original Message-----
>> From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
>> Sent: Tuesday, February 18, 2020 11:45 AM
>> To: AMBER Mailing List <amber.ambermd.org>
>> Subject: Re: [AMBER] installing
>>
>> This message is from an external sender. Please take care when
>> responding, clicking links or opening attachments.
>>
>> Hi again!
>> Can you run *lscpu* and show us the output?
>> You may also try to do:
>>
>>
>> *export DO_PARALLEL="mpirun -np 2" make test*
>>
>> Just to see if it works requesting 2 processes, instead of 8.
>> Regards
>> Gera
>>
>> El mar., 18 feb. 2020 a las 11:34, Nicolas Feldman (<nfeldman01.qub.ac.uk
>> >)
>> escribió:
>>
>> > Thank you very much. When I run the nproc command to know how many
>> > processors I have available it print 8
>> >
>> > Nicolas Feldman
>> > PhD Student
>> > The Wellcome-Wolfson Institute for Experimental Medicine Queen's
>> > University of Belfast; 97 Lisburn Rd. Belfast, UK BT9 7BL
>> >
>> > -----Original Message-----
>> > From: Daniel Roe <daniel.r.roe.gmail.com>
>> > Sent: Tuesday, February 18, 2020 2:03 PM
>> > To: AMBER Mailing List <amber.ambermd.org>
>> > Subject: Re: [AMBER] installing
>> >
>> > This message is from an external sender. Please take care when
>> > responding, clicking links or opening attachments.
>> >
>> > Hi,
>> >
>> > On Mon, Feb 17, 2020 at 6:28 PM Nicolas Feldman <nfeldman01.qub.ac.uk>
>> > wrote:
>> > >
>> > > There are not enough slots available in the system to satisfy the 8
>> > > slots that were requested by the application:
>> >
>> >
>> > /home/nico_amber/amber18/bin/sander.MPI
>> >
>> >
>> > Either request fewer slots for your application, or
>> > make more slots
>> > > available for use.
>> >
>> > This means that you requested 8 MPI processes, but the hardware you
>> > are trying to run on does not have 8 available processes. As a rough
>> > estimate of what your system will currently support, run `nproc`. If
>> > you're running on a batch queuing system (like SLURM), the number of
>> > available processes will depend on how the system is configured.
>> > OpenMPI will let you "oversubscribe", but performance will be poor.
>> > See https://www.open-mpi.org/faq/?category=running#oversubscribing for
>> > more info.
>> >
>> > -Dan
>> >
>> > > A "slot" is the Open MPI term for an allocatable unit where we can
>> > > launch a process. The number of slots available are defined by the
>> > > environment in which Open MPI processes are run:
>> >
>> >
>> > 1. Hostfile, via "slots=N" clauses (N defaults to number
>> > of
>> > > processor cores if not provided)
>> > > 2. The --host command line parameter, via a ":N" suffix on the
>> > > hostname (N defaults to 1 if not provided) 3. Resource manager
>> > > (e.g., SLURM, PBS/Torque, LSF, etc.) 4. If none of a hostfile, the
>> > > --host command line parameter, or an RM is present, Open MPI
>> > > defaults to the number of processor cores
>> >
>> >
>> > In all the above cases, if you want Open MPI to default to the
>> > number
>> > > of hardware threads instead of the number of processor cores, use
>> > > the --use-hwthread-cpus option.
>> >
>> >
>> > Alternatively, you can use the --oversubscribe option to
>> > ignore the
>> > > number of available slots when deciding the number of processes to
>> > > launch.
>> > >
>> > > --------------------------------------------------------------------
>> > > --
>> > > ----
>> > > ./min.csh: Program error
>> > > Makefile:296: recipe for target 'test.parallel.sander.SEBOMD' failed
>> > > make[2]: [test.parallel.sander.SEBOMD] Error 1 (ignored)
>> > > make[2]: Target 'test.parallel.at' not remade because of errors.
>> > > make[2]: Leaving directory '/home/nico_amber/amber18/test'
>> > > make[2]: Entering directory '/home/nico_amber/amber18/AmberTools/test'
>> >
>> >
>> > Finished test suite for AmberTools at Mon Feb 17 23:18:23
>> > GMT 2020.
>> >
>> > make[2]: Leaving directory
>> > '/home/nico_amber/amber18/AmberTools/test'
>> > > 5 file comparisons passed
>> > > 642 file comparisons failed (0 ignored)
>> > > 686 tests experienced errors
>> > > Test log file saved as
>> > > /home/nico_amber/amber18/logs/test_at_parallel/2020-02-17_23-15-10.l
>> > > og
>> > > Test diffs file saved as
>> > > /home/nico_amber/amber18/logs/test_at_parallel/2020-02-17_23-15-10.d
>> > > if
>> > > f
>> > > Makefile:14: recipe for target 'test.parallel' failed
>> > > make[1]: *** [test.parallel] Error 1
>> > > make[1]: Leaving directory '/home/nico_amber/amber18/AmberTools/test'
>> > > Makefile:91: recipe for target 'test.parallel' failed
>> > > make: [test.parallel] Error 2 (ignored)
>> >
>> > ==============================================================
>> > > /home/nico_amber/amber18/src/Makefile not found.
>> > > This is expected if you have not installed Amber18.
>> > >
>> > > Nicolas Feldman
>> > > PhD Student
>> > > The Wellcome-Wolfson Institute for Experimental Medicine Queen's
>> > > University of Belfast; 97 Lisburn Rd. Belfast, UK BT9 7BL
>> > >
>> > > -----Original Message-----
>> > > From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
>> > > Sent: Monday, February 17, 2020 11:21 PM
>> > > To: AMBER Mailing List <amber.ambermd.org>
>> > > Subject: Re: [AMBER] installing
>> > >
>> > > This message is from an external sender. Please take care when
>> > responding, clicking links or opening attachments.
>> > >
>> > > Nice! Let us know how it went!
>> > > Regards!
>> > > Gera!
>> > >
>> > > El lun., 17 de feb. de 2020 19:56, Gustaf Olsson
>> > > <gustaf.olsson.lnu.se>
>> > > escribió:
>> > >
>> > > > Good to hear, feel free to reach out at any point if you have any
>> > > > more problems.
>> > > >
>> > > >
>> > > > Keeping the instructions accurate and up to date is challenging
>> > > > and sometimes I do need a push.
>> > > >
>> > > >
>> > > > Best regards
>> > > >
>> > > > // Gustaf
>> > > >
>> > > > ________________________________
>> > > > Från: Nicolas Feldman <nfeldman01.qub.ac.uk>
>> > > > Skickat: den 17 februari 2020 23:53:36
>> > > > Till: AMBER Mailing List
>> > > > Ämne: Re: [AMBER] installing
>> > > >
>> > > > I had forget a previous command, now im installing and should be
>> fine.
>> > > > Indeed im in a WSL
>> > > >
>> > > > Nicolas Feldman
>> > > > PhD Student
>> > > > The Wellcome-Wolfson Institute for Experimental Medicine Queen's
>> > > > University of Belfast; 97 Lisburn Rd. Belfast, UK BT9 7BL
>> > > >
>> > > > -----Original Message-----
>> > > > From: Gustaf Olsson <gustaf.olsson.lnu.se>
>> > > > Sent: Monday, February 17, 2020 10:47 PM
>> > > > To: AMBER Mailing List <amber.ambermd.org>
>> > > > Subject: Re: [AMBER] installing
>> > > >
>> > > > This message is from an external sender. Please take care when
>> > > > responding, clicking links or opening attachments.
>> > > >
>> > > > I am not sure what you are trying to accomplish?
>> > > >
>> > > >
>> > > > Am I correct in assumeing you are trying to compile Amber or
>> > > > AmberTools in Windows Subsystem for Linux? Have you chosen Ubuntu
>> > > > or
>> > another *nix version?
>> > > >
>> > > >
>> > > > Whatever is available on the website was tested when it was
>> published.
>> > > > There are no guarantees that it still is accurate. As discussed
>> > > > with another user last week (?) I did recompile the latest version
>> > > > of AmberTools in WSL Ubuntu, the serial version without error. I
>> > > > also recompiled serial and both MPI and OpenMPI on Ubuntu as well
>> > > > as serial and MPI versions on Mac last week.
>> > > >
>> > > >
>> > > > This: FFTW configure failed! To me seems like you either had a
>> > > > problem installing the prerequisites or had problems with the
>> > > > miniconda installation of prerequisites. This --enable-mpi is not
>> > > > an option addressed on the website at any point.
>> > > >
>> > > >
>> > > > You do not have to install the parallel version of you have a
>> > > > successful serial installation present. However, I doubt that you
>> > > > would if you have this configuration error FFTW configure failed!
>> > > > This should break the serial configuration as well.
>> > > >
>> > > >
>> > > > So, you are a Windows 10 user and you have installed some Linux
>> > > > version from the "windows store". Is it Ubuntu? Which version,
>> > > > what have you done so far in terms of commands? Feel free to email
>> > > > me directly if you prefer, I am on a short leave until Thursday
>> > > > though I
>> > check my email sporadically.
>> > > >
>> > > >
>> > > > I am planning to update the available instructions as well as
>> > > > adding direct Ubuntu instructions as soon as possible though
>> > > > getting a clean VM for each OS setup and running usually takes
>> > > > longer then I
>> > anticipate.
>> > > >
>> > > >
>> > > > Best regards
>> > > >
>> > > > // Gustaf
>> > > >
>> > > >
>> > > > ________________________________
>> > > > Från: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
>> > > > Skickat: den 17 februari 2020 22:32:30
>> > > > Till: AMBER Mailing List
>> > > > Ämne: Re: [AMBER] installing
>> > > >
>> > > > Hi again!
>> > > > I copy a thread that is relates to you issue. Give it a try:
>> > > >
>> > > > On Mon, May 29, 2017, Lucas wrote:
>> > > > *>*
>> > > > *> Last year a user posted the message in the end of the mail
>> > > > about
>> > > > the* *> common error " could not find mpi library for
>> > > > --enable-mpi"*
>> > > > *>*
>> > > > *> I'm running into the same problem, and from the response given
>> > > > then
>> > > > it* *> means either the user doesn't have an mpi library installed
>> > > > or it is* *> not in LD_LIBRARY_PATH*
>> > > >
>> > > > This is a difficult problem, and (notwithstanding the earlier
>> > > > reply) probably has nothing to do with LD_LIBRARY_PATH.
>> > > >
>> > > > *>*
>> > > > *> So I installed mpich,*
>> > > >
>> > > > The problem is that we don't know what to you did to "install
>> > > > mpich", and debugging the fftw parallel installtion procedure is a
>> > > > task beyond my comfort zone.
>> > > >
>> > > > If you are on Linux, make sure that you install both the mpich
>> > > > *and* the mpich-dev (or mpich-devel) libraries.
>> > > >
>> > > > But my best suggestion is this, which is what we almost always
>> > > > suggest for mpi problems:
>> > > >
>> > > > cd $AMBERHOME/AmberTools/src
>> > > > ./configure_mpich gnu
>> > > >
>> > > > (You may have to download the code, as explained in the output to
>> > > > the above command.) This sets up all the MPI directories *within*
>> > > > the AMBERHOME directory tree, and ensures that you will have the
>> > > > proper functions like mpicc and mpif90 available (assuming that
>> > > > $AMBERHOME/bin comes before any other mpi stuff in your $PATH.
>> > > >
>> > > > ..give this a try....dac
>> > > >
>> > > > El lun., 17 de feb. de 2020 18:11, Nicolas Feldman
>> > > > <nfeldman01.qub.ac.uk>
>> > > > escribió:
>> > > >
>> > > > > What I mean is : I do not know the purpose of mpi. Im just
>> > > > > following the introction to install amber.
>> > > > > https://www.ovetande.se/software/amber/install/ambertools19-wind
>> > > > > ow
>> > > > > s1
>> > > > > 0-
>> > > > > wsl/
>> > > > >
>> > > > > Nicolas Feldman
>> > > > > PhD Student
>> > > > > The Wellcome-Wolfson Institute for Experimental Medicine Queen's
>> > > > > University of Belfast; 97 Lisburn Rd. Belfast, UK BT9 7BL
>> > > > >
>> > > > > -----Original Message-----
>> > > > > From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
>> > > > > Sent: Monday, February 17, 2020 9:07 PM
>> > > > > To: AMBER Mailing List <amber.ambermd.org>
>> > > > > Subject: Re: [AMBER] installing
>> > > > >
>> > > > > This message is from an external sender. Please take care when
>> > > > > responding, clicking links or opening attachments.
>> > > > >
>> > > > > Are you trying to install serial amber or parallel (mpi)?
>> > > > > Regards!
>> > > > > Gera
>> > > > >
>> > > > > El lun., 17 de feb. de 2020 17:56, Nicolas Feldman
>> > > > > <nfeldman01.qub.ac.uk>
>> > > > > escribió:
>> > > > >
>> > > > > > It seem that I do not have the mpi library, because: configure:
>> > error:
>> > > > > > could not find mpi library for --enable-mpi
>> > > > > >
>> > > > > > I did the following that you recommend and receive this output:
>> > > > > >
>> > > > > >
>> > > > > > checking for a BSD-compatible install... /usr/bin/install -c
>> > > > > >
>> > > > > > checking whether build environment is sane... yes
>> > > > > >
>> > > > > > checking for a thread-safe mkdir -p... /bin/mkdir -p
>> > > > > >
>> > > > > > checking for gawk... gawk
>> > > > > >
>> > > > > > checking whether make sets $(MAKE)... yes
>> > > > > >
>> > > > > > checking whether to enable maintainer-specific portions of
>> > Makefiles...
>> > > > > > no
>> > > > > > checking build system type... x86_64-unknown-linux-gnu
>> > > > > >
>> > > > > > checking host system type... x86_64-unknown-linux-gnu
>> > > > > >
>> > > > > > checking for gcc... gcc
>> > > > > >
>> > > > > > checking whether the C compiler works... yes
>> > > > > >
>> > > > > > checking for C compiler default output file name... a.out
>> > > > > >
>> > > > > > checking for suffix of executables...
>> > > > > >
>> > > > > > checking whether we are cross compiling... no
>> > > > > >
>> > > > > > checking for suffix of object files... o
>> > > > > >
>> > > > > > checking whether we are using the GNU C compiler... yes
>> > > > > >
>> > > > > > checking whether gcc accepts -g... yes
>> > > > > >
>> > > > > > checking for gcc option to accept ISO C89... none needed
>> > > > > >
>> > > > > > checking for style of include used by make... GNU
>> > > > > >
>> > > > > > checking dependency style of gcc... gcc3
>> > > > > >
>> > > > > > checking whether gcc and cc understand -c and -o together...
>> > > > > > yes
>> > > > > >
>> > > > > > checking for C compiler vendor... gnu
>> > > > > >
>> > > > > > checking for gcc option to accept ISO C99... none needed
>> > > > > >
>> > > > > > checking for gcc option to accept ISO Standard C... (cached)
>> > > > > > none needed
>> > > > > >
>> > > > > > checking whether ln -s works... yes
>> > > > > >
>> > > > > > checking whether make sets $(MAKE)... (cached) yes
>> > > > > >
>> > > > > > checking for a sed that does not truncate output... /bin/sed
>> > > > > >
>> > > > > > checking for grep that handles long lines and -e...
>> > > > > > /bin/grep
>> > > > > >
>> > > > > > checking for egrep... /bin/grep -E
>> > > > > >
>> > > > > > checking for fgrep... /bin/grep -F
>> > > > > >
>> > > > > > checking for ld used by gcc... /usr/bin/ld
>> > > > > >
>> > > > > > checking if the linker (/usr/bin/ld) is GNU ld... yes
>> > > > > >
>> > > > > > checking for BSD- or MS-compatible name lister (nm)...
>> > > > > > /usr/bin/nm -B
>> > > > > >
>> > > > > > checking the name lister (/usr/bin/nm -B) interface... BSD nm
>> > > > > >
>> > > > > > checking the maximum length of command line arguments...
>> > > > > > 1572864
>> > > > > >
>> > > > > > checking whether the shell understands some XSI constructs...
>> > > > > > yes
>> > > > > >
>> > > > > > checking whether the shell understands "+="... yes
>> > > > > >
>> > > > > > checking for /usr/bin/ld option to reload object files... -r
>> > > > > >
>> > > > > > checking for objdump... objdump
>> > > > > >
>> > > > > > checking how to recognize dependent libraries... pass_all
>> > > > > >
>> > > > > > checking for ar... ar
>> > > > > >
>> > > > > > checking for strip... strip
>> > > > > >
>> > > > > > checking for ranlib... ranlib
>> > > > > >
>> > > > > > checking command to parse /usr/bin/nm -B output from gcc
>> object...
>> > > > > > ok
>> > > > > >
>> > > > > > checking how to run the C preprocessor... gcc -E
>> > > > > >
>> > > > > > checking for ANSI C header files... yes
>> > > > > >
>> > > > > > checking for sys/types.h... yes
>> > > > > >
>> > > > > > checking for sys/stat.h... yes
>> > > > > >
>> > > > > > checking for stdlib.h... yes
>> > > > > >
>> > > > > > checking for string.h... yes
>> > > > > >
>> > > > > > checking for memory.h... yes
>> > > > > >
>> > > > > > checking for strings.h... yes
>> > > > > >
>> > > > > > checking for inttypes.h... yes
>> > > > > >
>> > > > > > checking for stdint.h... yes
>> > > > > >
>> > > > > > checking for unistd.h... yes
>> > > > > >
>> > > > > > checking for dlfcn.h... yes
>> > > > > >
>> > > > > > checking for objdir... .libs
>> > > > > >
>> > > > > > checking if gcc supports -fno-rtti -fno-exceptions... no
>> > > > > >
>> > > > > > checking for gcc option to produce PIC... -fPIC
>> > > > > > -DPIC
>> > > > > >
>> > > > > > checking if gcc PIC flag -fPIC -DPIC works... yes
>> > > > > >
>> > > > > > checking if gcc static flag -static works... yes
>> > > > > >
>> > > > > > checking if gcc supports -c -o file.o... yes
>> > > > > >
>> > > > > > checking if gcc supports -c -o file.o... (cached) yes
>> > > > > >
>> > > > > > checking whether the gcc linker (/usr/bin/ld -m
>> > elf_x86_64)
>> > > > > > supports shared libraries... yes
>> checking
>> > > > dynamic
>> > > > > > linker characteristics... GNU/Linux ld.so
>> > > > > >
>> > > > > > checking how to hardcode library paths into programs...
>> > > > > > immediate
>> > > > > >
>> > > > > > checking whether stripping libraries is possible...
>> > > > > > yes
>> > > > > >
>> > > > > > checking if libtool supports shared libraries... yes
>> > > > > >
>> > > > > > checking whether to build shared libraries... no
>> > > > > >
>> > > > > > checking whether to build static libraries... yes
>> > > > > >
>> > > > > > checking for ocamlbuild... no
>> > > > > >
>> > > > > > checking for mpicc... no
>> > > > > >
>> > > > > > checking for hcc... no
>> > > > > >
>> > > > > > checking for mpcc... no
>> > > > > >
>> > > > > > checking for mpcc_r... no
>> > > > > >
>> > > > > > checking for mpxlc... no
>> > > > > >
>> > > > > > checking for cmpicc... no
>> > > > > >
>> > > > > > checking for MPI_Init... no
>> > > > > >
>> > > > > > checking for MPI_Init in -lmpi... no
>> > > > > >
>> > > > > > checking for MPI_Init in -lmpich... no
>> > > > > >
>> > > > > > configure: error: could not find mpi library for --enable-mpi
>> > > > > >
>> > > > > > -----Original Message-----
>> > > > > > From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
>> > > > > > Sent: Monday, February 17, 2020 8:49 PM
>> > > > > > To: AMBER Mailing List <amber.ambermd.org>
>> > > > > > Subject: Re: [AMBER] installing
>> > > > > >
>> > > > > > This message is from an external sender. Please take care when
>> > > > > > responding, clicking links or opening attachments.
>> > > > > >
>> > > > > > Edit
>> > > > > > Do the following:
>> > > > > >
>> > > > > > cat /home/nico/amber18/AmberTools/src/fftw3_config.log
>> > > > > >
>> > > > > >
>> > > > > > El lun., 17 de feb. de 2020 17:48, Gerardo Zerbetto De Palma <
>> > > > > > g.zerbetto.gmail.com> escribió:
>> > > > > >
>> > > > > > > Hi again!
>> > > > > > > Just to make it clear: Are those the contents of
>> > > > > > > fftw3_config.log
>> > > > file?
>> > > > > > > In case not, just do the following:
>> > > > > > >
>> > > > > > > cat /home/nico/amber18/AmberTools/src
>> > > > > > >
>> > > > > > > and paste contents here.
>> > > > > > > Regards
>> > > > > > > Gera!
>> > > > > > >
>> > > > > > > El lun., 17 de feb. de 2020 17:41, Nicolas Feldman
>> > > > > > > <nfeldman01.qub.ac.uk>
>> > > > > > > escribió:
>> > > > > > >
>> > > > > > >> Everything seems okey until this last few lines where a
>> > > > > > >> error is display
>> > > > > > >>
>> > > > > > >> Checking for zlib: OK
>> > > > > > >>
>> > > > > > >>
>> > > > > > >> Checking for libbz2: OK
>> > > > > > >>
>> > > > > > >>
>> > > > > > >> Configuring fftw-3.3 (may be
>> time-consuming)...
>> > > > > > >>
>> > > > > > >>
>> > > > > > >> Error: FFTW configure returned 1
>> > > > > > >>
>> > > > > > >> FFTW configure failed! Check the fftw3_config.log file
>> > > > > > >>
>> > > > > > >> in the /home/nico/amber18/AmberTools/src directory.
>> > > > > > >>
>> > > > > > >> Configure failed due to the errors above!
>> > > > > > >>
>> > > > > > >> Nicolas Feldman
>> > > > > > >> PhD Student
>> > > > > > >> The Wellcome-Wolfson Institute for Experimental Medicine
>> > > > > > >> Queen's University of Belfast; 97 Lisburn Rd. Belfast, UK
>> > > > > > >> BT9 7BL
>> > > > > > >>
>> > > > > > >> -----Original Message-----
>> > > > > > >> From: Gerardo Zerbetto De Palma <g.zerbetto.gmail.com>
>> > > > > > >> Sent: Monday, February 17, 2020 8:39 PM
>> > > > > > >> To: AMBER Mailing List <amber.ambermd.org>
>> > > > > > >> Subject: Re: [AMBER] installing
>> > > > > > >>
>> > > > > > >> This message is from an external sender. Please take care
>> > > > > > >> when responding, clicking links or opening attachments.
>> > > > > > >>
>> > > > > > >> Share that error log with us!
>> > > > > > >> Regards
>> > > > > > >> Gera!
>> > > > > > >>
>> > > > > > >> El lun., 17 de feb. de 2020 17:36, Nicolas Feldman
>> > > > > > >> <nfeldman01.qub.ac.uk>
>> > > > > > >> escribió:
>> > > > > > >>
>> > > > > > >> > I'm getting this error when installing:
>> > > > > > >> > Error: FFTW configure returned 1 FFTW configure failed!
>> > > > > > >> > Check the fftw3_config.log file in the
>> > > > > > >> > /home/[user]/amber18/AmberTools/src directory.
>> > > > > > >> > Configure failed due to the errors above!
>> > > > > > >> >
>> > > > > > >> > Nicolas Feldman
>> > > > > > >> > PhD Student
>> > > > > > >> > The Wellcome-Wolfson Institute for Experimental Medicine
>> > > > > > >> > Queen's University of Belfast; 97 Lisburn Rd. Belfast, UK
>> > > > > > >> > BT9 7BL
>> > > > > > >> >
>> > > > > > >> > _______________________________________________
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>> > > > > > >> >
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>> > > > > > >>
>> > > > > > >
>> > > > > > _______________________________________________
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>> > > > > > http://lists.ambermd.org/mailman/listinfo/amber
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>> > > > http://lists.ambermd.org/mailman/listinfo/amber
>> > > >
>> > > _______________________________________________
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>> > > AMBER.ambermd.org
>> > > http://lists.ambermd.org/mailman/listinfo/amber
>> > > _______________________________________________
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>> > > AMBER.ambermd.org
>> > > http://lists.ambermd.org/mailman/listinfo/amber
>> >
>> > _______________________________________________
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>> > AMBER.ambermd.org
>> > http://lists.ambermd.org/mailman/listinfo/amber
>> > _______________________________________________
>> > AMBER mailing list
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>> > http://lists.ambermd.org/mailman/listinfo/amber
>> >
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>> _______________________________________________
>> AMBER mailing list
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
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Received on Tue Feb 18 2020 - 07:30:03 PST
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