Hello
This is my first time compiling AMBER. I followed the instructions found in AMBER11 manual and as suggested I first compiled the 'serial' version. After running the 'test' it was reported that I had 15 failures and 1 error shown below: The error was called a "Syntax error".
I went ahead a attempted a "Sander" MD run and this seems to work without any problem. But, I am not sure if I should move to MPI compilation or not. I would be grateful if someone could give me some advice about these failures and error and tell me if I should proceed to my parallel compilations.
I did the bugfix all and then "make serial" followed by make test.
Thanks Steve
cd ncsu && ./run-serial.sh
>>>>>>> doing 'abmd_ANALYSIS'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: monitor.txt: No such file or directory
diffing save/monitor.txt with monitor.txt
possible FAILURE: check monitor.txt.dif
==============================================================
>>>>>>> doing 'abmd_FLOODING'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: monitor.txt: No such file or directory
diffing save/monitor.txt with monitor.txt
possible FAILURE: check monitor.txt.dif
==============================================================
/home/seibold/programs/amber11/src/netcdf/bin/ncdump: umbrella.nc: No such file or directory
ncgen: -: syntax error
/home/seibold/programs/amber11/src/netcdf/bin/ncdump: ncdump.tmp: No such file or directory
diffing umbrella.save.ncdump with umbrella.ncdump
possible FAILURE: check umbrella.ncdump.dif
==============================================================
>>>>>>> doing 'abmd_UMBRELLA'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: monitor.txt: No such file or directory
diffing save/monitor.txt with monitor.txt
possible FAILURE: check monitor.txt.dif
==============================================================
>>>>>>> doing 'smd'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: smd.txt: No such file or directory
diffing save/smd.txt with smd.txt
possible FAILURE: check smd.txt.dif
==============================================================
>>>>>>> doing 'pmd'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: pmd.txt: No such file or directory
diffing save/pmd.txt with pmd.txt
possible FAILURE: check pmd.txt.dif
==============================================================
>>>>>>> doing 'smd2'
diffing save/mdout with mdout
possible FAILURE: check mdout.dif
==============================================================
cat: work.txt: No such file or directory
diffing save/work.txt with work.txt
possible FAILURE: check work.txt.dif
==============================================================
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Received on Mon Jun 07 2010 - 05:30:06 PDT
