Task 38678331

Name test_1189-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND5093_1
Workunit 31602612
Created 26 Oct 2026, 17:03:53 UTC
Sent 26 Oct 2026, 17:04:03 UTC
Report deadline 31 Oct 2026, 17:04:03 UTC
Received 26 Oct 2026, 18:59:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609955
Run time 31 min 57 sec
CPU time 24 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.77 MB
Peak swap size 9.93 GB
Peak disk usage 4.01 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
03:31:37 (42564): wrapper (7.9.26016): starting
03:31:37 (42564): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
03:31:39 (42564): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:31:39 (42564): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'D:\BOINC\slots\18\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\BOINC\slots\18\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
03:56:44 (42564): C:/Windows/system32/cmd.exe exited; CPU time 1485.140625
03:56:44 (42564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 29627595 bytes.
Dumping objects ->
{3835578} normal block at 0x000001598BB55450, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835567} normal block at 0x000001598DD364A0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835556} normal block at 0x000001598DD370A0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835545} normal block at 0x000001598DD367A0, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835534} normal block at 0x000001598DD368C0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835503} normal block at 0x000001598BB553E0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835492} normal block at 0x000001598BBAD770, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835489} normal block at 0x000001598BB4F520, 8 bytes long.
 Data: <  &#178; Y   > 00 00 B2 8B 59 01 00 00 
{3834767} normal block at 0x000001598BBAEAF0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834069} normal block at 0x000001598BB4F750, 8 bytes long.
 Data: <`K&#181; Y   > 60 4B B5 8B 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001598BB46790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001598BB477A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001598BB56690, 16 bytes long.
 Data: <&#216;s&#181; Y           > D8 73 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001598BB56DC0, 16 bytes long.
 Data: <&#176;s&#181; Y           > B0 73 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001598BB51830, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001598BB56AA0, 16 bytes long.
 Data: < s&#181; Y           > 88 73 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001598BB56C80, 16 bytes long.
 Data: <`s&#181; Y           > 60 73 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001598BB56C30, 16 bytes long.
 Data: <8s&#181; Y           > 38 73 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001598BB56500, 16 bytes long.
 Data: < s&#181; Y           > 10 73 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001598BB55610, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001598BB564B0, 16 bytes long.
 Data: <&#216;&#190;&#179; Y           > D8 BE B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001598BB512F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001598BB56870, 16 bytes long.
 Data: <&#176;&#190;&#179; Y           > B0 BE B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001598BB56B90, 16 bytes long.
 Data: < &#190;&#179; Y           > 88 BE B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001598BB56730, 16 bytes long.
 Data: <`&#190;&#179; Y           > 60 BE B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001598BB56E60, 16 bytes long.
 Data: <8&#190;&#179; Y           > 38 BE B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001598BB560F0, 16 bytes long.
 Data: < &#190;&#179; Y           > 10 BE B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001598BB56550, 16 bytes long.
 Data: < &#189;&#179; Y           > E8 BD B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001598BB513B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001598BB56230, 16 bytes long.
 Data: <&#192;&#189;&#179; Y           > C0 BD B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001598BB3BDC0, 320 bytes long.
 Data: <0b&#181; Y   &#176; &#181; Y   > 30 62 B5 8B 59 01 00 00 B0 13 B5 8B 59 01 00 00 
{279} normal block at 0x000001598BB56D70, 16 bytes long.
 Data: < r&#181; Y           > F0 72 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001598BB56140, 16 bytes long.
 Data: <&#200;r&#181; Y           > C8 72 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001598BB50B10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001598BB569B0, 16 bytes long.
 Data: < r&#181; Y           > A0 72 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001598BB518F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001598BB56780, 16 bytes long.
 Data: < q&#181; Y           > E8 71 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001598BB565A0, 16 bytes long.
 Data: <&#192;q&#181; Y           > C0 71 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001598BB56460, 16 bytes long.
 Data: < q&#181; Y           > 98 71 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001598BB56370, 16 bytes long.
 Data: <pq&#181; Y           > 70 71 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001598BB56FA0, 16 bytes long.
 Data: <Hq&#181; Y           > 48 71 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001598BB56410, 16 bytes long.
 Data: < q&#181; Y           > 20 71 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001598BB57040, 16 bytes long.
 Data: <0U&#181; Y           > 30 55 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001598BB55530, 40 bytes long.
 Data: <@p&#181; Y    S&#181; Y   > 40 70 B5 8B 59 01 00 00 E0 53 B5 8B 59 01 00 00 
{265} normal block at 0x000001598BB56EB0, 16 bytes long.
 Data: < q&#181; Y           > 00 71 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001598BB563C0, 16 bytes long.
 Data: <&#216;p&#181; Y           > D8 70 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001598BB51050, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001598BB56BE0, 16 bytes long.
 Data: <&#176;p&#181; Y           > B0 70 B5 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001598BB570B0, 992 bytes long.
 Data: < k&#181; Y   P &#181; Y   > E0 6B B5 8B 59 01 00 00 50 10 B5 8B 59 01 00 00 
{97} normal block at 0x000001598BB51770, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001598BB4F250, 16 bytes long.
 Data: <P&#203;&#179; Y           > 50 CB B3 8B 59 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001598BB3CB50, 40 bytes long.
 Data: <P &#180; Y   p &#181; Y   > 50 F2 B4 8B 59 01 00 00 70 17 B5 8B 59 01 00 00 
{72} normal block at 0x000001598BB4F480, 16 bytes long.
 Data: <   &#215;            > 80 EA 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001598BB4F430, 16 bytes long.
 Data: <@  &#215;            > 40 E9 94 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001598BB4EA80, 16 bytes long.
 Data: < W &#215;            > F8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001598BB4F3E0, 16 bytes long.
 Data: <&#216;W &#215;            > D8 57 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001598BB4EB70, 16 bytes long.
 Data: <P  &#215;            > 50 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001598BB4F2A0, 16 bytes long.
 Data: <0  &#215;            > 30 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001598BB4EFD0, 16 bytes long.
 Data: <   &#215;            > E0 02 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001598BB4F660, 16 bytes long.
 Data: <   &#215;            > 10 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001598BB4EE40, 16 bytes long.
 Data: <p  &#215;            > 70 04 91 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001598BB4ED50, 16 bytes long.
 Data: < &#192; &#215;            > 18 C0 8F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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