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Installation error, c35b6
#30072 06/05/12 10:15 AM
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In my Lab computer, this error is appearing...

install.com> The existing pref.dat will be used in this
installation.

install.com> Phase 2 completed.

install.com> Processing CHARMM source on gnu...


install.com> The CHARMM executable
/home/souparno/CHARMM/c35b6/exec/gnu/charmm is NOT produced.
Check /home/souparno/CHARMM/c35b6/build/gnu/gnu.log
for installation errors.

install.com> Phase 3 completed.


Please help me... I am in urgent need...

________________________________

Souparno Adhikary,
Bioinformatics Centre,
Bose Institute,
Kolkata


Souparno Adhikary,


Trainee,
Centre of Excellence in Bioinformatics,
Bose Institute,
Kolkata
Re: Installation error, c35b6
souparnoadhikary #30073 06/05/12 01:41 PM
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You have to go further, and check gnu.log for details, as indicated in the message. You should also include the full install.com command line, and indicate what you are trying to do.


Rick Venable
computational chemist

Re: Installation error, c35b6
souparnoadhikary #30093 06/08/12 11:38 AM
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no one else but you can read /home/souparno/CHARMM/c35b6/build/gnu/gnu.log for the errror messages...

Re: Installation error, c35b6
souparnoadhikary #30370 07/13/12 06:37 PM
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In my Lab computer, this error is appearing...

install.com> The existing pref.dat will be used in this
installation.

install.com> Phase 2 completed.

install.com> Processing CHARMM source on gnu...


install.com> The CHARMM executable
/home/tanay/CHARMM/c35b6/exec/gnu/charmm is NOT produced.
Check /home/tanay/CHARMM/c35b6/build/gnu/gnu.log
for installation errors.

install.com> Phase 3 completed.
please help me as soon as possible..

Re: Installation error, c35b6
souparnoadhikary #30371 07/13/12 06:46 PM
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the gnu.log file contains:
CHARMM Build on gnu Thu Jul 12 22:02:32 IST 2012
make: Command not found.
CHARMM Build on gnu Thu Jul 12 23:36:11 IST 2012
make: Command not found.
CHARMM Build on gnu Thu Jul 12 23:49:51 IST 2012
make: Command not found.

Re: Installation error, c35b6
souparnoadhikary #30372 07/13/12 06:59 PM
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The 'make' command is a standard Linux tool, and is not included in the CHARMM distribution. It should be available through the installation tools for the Linux distribution you are using.


Rick Venable
computational chemist

Re: Installation error, c35b6
souparnoadhikary #30674 09/12/12 08:41 PM
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I'm facing the similar problem when I want to install the charmm on to my computer

I'm using the gfortran 4.6 compiler

I'm passing following command ./install.com gnu

and on Phase 2 it generates following error:

/home/vibhor/Documents/usr/c35b6/tool/preflx /home/vibhor/Documents/usr/c35b6/source/energy/intere.src
106 Conditional keys: GNU UNIX SCALAR MEDIUM EXPAND PUTFCM ACE ADUMB AFM ASPENER ASPMEMB BANBA
Conditional keys: BLOCK CFF CHEQ CMAP DIMB DMCONS DOCK DYNVV2 EMAP ESTATS FASTEW FLEXPARM
Conditional keys: FLUCQ FMA FOURD FSSHK GBBLCK GBFIXAT GBIM GBINLINE GBMV GBMVFAST HDGB HQBM
Conditional keys: GBSW GBSWIT GCMC GENETIC GENBORN GOMODEL GRID GSBP HMCM IMCUBES LATTICE LDM
Conditional keys: LDLAN LDMGEN LONEPAIR LMC LRST LRVDW MC MEHMC MMFF MOLVIB MULTCAN NBIPS
Conditional keys: NEWTIMER OLDDYN OPLS OVERLAP PATHINT PBEQ PBOUND PERT PHMD POLAR PSSP PM1
Conditional keys: PMEPLSMA PNOE PRIMSH RCFFT RDFSOL REPLICA RGYCONS RPATH RXNCOR SASAE SCPISM SGLD
Conditional keys: SHAPES SHELL SOFTVDW TNPACK TPS TRAVEL TSM TSALLIS FITCHG WCA CHEMPERT PROTO
Conditional keys: SMD COMP2 FACTS LOOKUP RMD RXNCONS TAMD QUANTUM RUSH NOGRAPHICS
gfortran -DGNU -frecord-marker=4 -c -O2 intere.f
intere.f:972.34:

Please help

thanks

Re: Installation error, c35b6
souparnoadhikary #30675 09/12/12 09:24 PM
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The only thing similar is the CHARMM version (c35b6).

There is no error message in what you've posted.


Rick Venable
computational chemist

Re: Installation error, c35b6
souparnoadhikary #30676 09/12/12 09:35 PM
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hello
since I'm not aware of the other thread having similar problem except this.I will take care from next time.as of now the error message was very big .I'm posting a part of it here now.(as in gnu.log file.

/home/vibhor/Documents/usr/c35b6/tool/preflx /home/vibhor/Documents/usr/c35b6/source/adumb/cmds.src
106 Conditional keys: GNU UNIX SCALAR XXLARGE EXPAND PUTFCM ACE ADUMB AFM ASPENER ASPMEMB BANBA
Conditional keys: BLOCK CFF CHEQ CMAP DIMB DMCONS DOCK DYNVV2 EMAP ESTATS FASTEW FLEXPARM
Conditional keys: FLUCQ FMA FOURD FSSHK GBBLCK GBFIXAT GBIM GBINLINE GBMV GBMVFAST HDGB HQBM
Conditional keys: GBSW GBSWIT GCMC GENETIC GENBORN GOMODEL GRID GSBP HMCM IMCUBES LATTICE LDM
Conditional keys: LDLAN LDMGEN LONEPAIR LMC LRST LRVDW MC MEHMC MMFF MOLVIB MULTCAN NBIPS
Conditional keys: NEWTIMER OLDDYN OPLS OVERLAP PATHINT PBEQ PBOUND PERT PHMD POLAR PSSP PM1
Conditional keys: PMEPLSMA PNOE PRIMSH RCFFT RDFSOL REPLICA RGYCONS RPATH RXNCOR SASAE SCPISM SGLD
Conditional keys: SHAPES SHELL SOFTVDW TNPACK TPS TRAVEL TSM TSALLIS FITCHG WCA CHEMPERT PROTO
Conditional keys: SMD COMP2 FACTS LOOKUP RMD RXNCONS TAMD QUANTUM RUSH NOGRAPHICS
gfortran -DGNU -frecord-marker=4 -c -O2 cmds.f
cmds.f:1713.36:

& HEAP(LISNUM(NNUM)),HEAP(RMNNUM(NNUM)),
1
Warning: Type mismatch in argument 'rmn' at (1); passed INTEGER(4) to REAL(8)
cmds.f:1878.23:

CALL MKCOOR1(HEAP(HPCO1X),HEAP(HPCO1Y),
1
Warning: Type mismatch in argument 'ccor1x' at (1); passed INTEGER(4) to REAL(8)
cmds.f:1894.23:

CALL MKCOOR2(HEAP(HPCO2X),HEAP(HPCO2Y),
1
Warning: Type mismatch in argument 'ccor2x' at (1); passed INTEGER(4) to REAL(8)
cmds.f:2001.23:

& HEAP(HPRMEN),HEAP(HPLORI),ORIENT,HEAP(HPORLS),
1
Warning: Type mismatch in argument 'lorien' at (1); passed INTEGER(4) to LOGICAL(4)
cmds.f:2030.13:

& LENIC,HEAP(BINTCR(INTPIC)),HEAP(BINTCR(INTIAR)),



Pleas help
thanks
VA

Re: Installation error, c35b6
souparnoadhikary #30677 09/12/12 09:51 PM
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If there is nothing similar, you should start a new thread with the "New Topic" button.

Again, these are not errors that would cause the compilation to fail, but are routine messages arising from the HEAP code in the legacy Fortran77 versions of CHARMM (c35b6 and earlier).

Usually, error messages contain the word "error", and are typically at or near the end of the log file.

Note that the compile can take 15-20 min or longer.


Rick Venable
computational chemist


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