Task 38686612

Name test_493-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND9048_0
Workunit 31628038
Created 28 Oct 2026, 3:29:24 UTC
Sent 28 Oct 2026, 3:29:28 UTC
Report deadline 2 Nov 2026, 3:29:28 UTC
Received 28 Oct 2026, 4:00:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631341
Run time 29 min 49 sec
CPU time 28 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.51 MB
Peak swap size 14.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:31:54 (19944): wrapper (7.9.26016): starting
04:31:54 (19944): 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
04:31:55 (19944): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:31:55 (19944): 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 'C:\ProgramData\BOINC_GPUGRID\slots\0\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 'C:\ProgramData\BOINC_GPUGRID\slots\0\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
05:00:11 (19944): C:/Windows/system32/cmd.exe exited; CPU time 1719.578125
05:00:11 (19944): called boinc_finish(0)
0 bytes in 0 Free Blocks.
632 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: 22343503 bytes.
Dumping objects ->
{3835309} normal block at 0x0000027D31B64270, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835298} normal block at 0x0000027D2FCE5190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835287} normal block at 0x0000027D2FCE5350, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835276} normal block at 0x0000027D2FCE5270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x0000027D2FCE5120, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835234} normal block at 0x0000027D31B652F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000027D2FD0FE50, 180 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) : {3835220} normal block at 0x0000027D2FCDE540, 8 bytes long.
 Data: <   0}   > 00 00 15 30 7D 02 00 00 
{3834594} normal block at 0x0000027D2FD0FF40, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000027D2FCDDC30, 8 bytes long.
 Data: < &#170;&#208;/}   > 10 AA D0 2F 7D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027D2FCE2280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027D2FCD7040, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000027D2FCE6A60, 16 bytes long.
 Data: <8o&#206;/}           > 38 6F CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027D2FCE6B50, 16 bytes long.
 Data: < o&#206;/}           > 10 6F CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027D2FCDF6D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000027D2FCE5ED0, 16 bytes long.
 Data: <&#232;n&#206;/}           > E8 6E CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027D2FCE6A10, 16 bytes long.
 Data: <&#192;n&#206;/}           > C0 6E CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000027D2FCE5F70, 16 bytes long.
 Data: < n&#206;/}           > 98 6E CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027D2FCE66F0, 16 bytes long.
 Data: <pn&#206;/}           > 70 6E CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027D2FCE5660, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000027D2FCE6380, 16 bytes long.
 Data: < &#242;&#204;/}           > 88 F2 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027D2FCE0030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000027D2FCE61A0, 16 bytes long.
 Data: <`&#242;&#204;/}           > 60 F2 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027D2FCE6650, 16 bytes long.
 Data: <8&#242;&#204;/}           > 38 F2 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027D2FCE6470, 16 bytes long.
 Data: < &#242;&#204;/}           > 10 F2 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027D2FCE6150, 16 bytes long.
 Data: <&#232;&#241;&#204;/}           > E8 F1 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027D2FCE6BA0, 16 bytes long.
 Data: <&#192;&#241;&#204;/}           > C0 F1 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027D2FCE69C0, 16 bytes long.
 Data: < &#241;&#204;/}           > 98 F1 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027D2FCDF910, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000027D2FCE6830, 16 bytes long.
 Data: <p&#241;&#204;/}           > 70 F1 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027D2FCCF170, 320 bytes long.
 Data: <0h&#206;/}    &#249;&#205;/}   > 30 68 CE 2F 7D 02 00 00 10 F9 CD 2F 7D 02 00 00 
{276} normal block at 0x0000027D2FCE6970, 16 bytes long.
 Data: <Pn&#206;/}           > 50 6E CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027D2FCE66A0, 16 bytes long.
 Data: <(n&#206;/}           > 28 6E CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027D2FCE02D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000027D2FCE5DE0, 16 bytes long.
 Data: < n&#206;/}           > 00 6E CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027D2FCDF8B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000027D2FCE6920, 16 bytes long.
 Data: <Hm&#206;/}           > 48 6D CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027D2FCE6510, 16 bytes long.
 Data: < m&#206;/}           > 20 6D CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027D2FCE6100, 16 bytes long.
 Data: <&#248;l&#206;/}           > F8 6C CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000027D2FCE6740, 16 bytes long.
 Data: <&#208;l&#206;/}           > D0 6C CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027D2FCE65B0, 16 bytes long.
 Data: <&#168;l&#206;/}           > A8 6C CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000027D2FCE5E80, 16 bytes long.
 Data: < l&#206;/}           > 80 6C CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027D2FCE6AB0, 16 bytes long.
 Data: <@P&#206;/}           > 40 50 CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027D2FCE5040, 40 bytes long.
 Data: <&#176;j&#206;/}   &#240;R&#182;1}   > B0 6A CE 2F 7D 02 00 00 F0 52 B6 31 7D 02 00 00 
{262} normal block at 0x0000027D2FCE68D0, 16 bytes long.
 Data: <`l&#206;/}           > 60 6C CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027D2FCE5CF0, 16 bytes long.
 Data: <8l&#206;/}           > 38 6C CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027D2FCE0270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000027D2FCE5CA0, 16 bytes long.
 Data: < l&#206;/}           > 10 6C CE 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027D2FCE6C10, 992 bytes long.
 Data: <&#160;\&#206;/}   p &#206;/}   > A0 5C CE 2F 7D 02 00 00 70 02 CE 2F 7D 02 00 00 
{94} normal block at 0x0000027D2FCDF9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000027D2FCDDF50, 16 bytes long.
 Data: <&#224;&#197;&#204;/}           > E0 C5 CC 2F 7D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000027D2FCCC5E0, 40 bytes long.
 Data: <P&#223;&#205;/}   &#208;&#249;&#205;/}   > 50 DF CD 2F 7D 02 00 00 D0 F9 CD 2F 7D 02 00 00 
{71} normal block at 0x0000027D2FCDE180, 16 bytes long.
 Data: < &#234;u4&#246;           > 80 EA 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000027D2FCDE450, 16 bytes long.
 Data: <@&#233;u4&#246;           > 40 E9 75 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000027D2FCDDDC0, 16 bytes long.
 Data: <&#248;Wr4&#246;           > F8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000027D2FCDE0E0, 16 bytes long.
 Data: <&#216;Wr4&#246;           > D8 57 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000027D2FCDE040, 16 bytes long.
 Data: <P r4&#246;           > 50 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000027D2FCDD780, 16 bytes long.
 Data: <0 r4&#246;           > 30 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027D2FCDDF00, 16 bytes long.
 Data: <&#224; r4&#246;           > E0 02 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027D2FCDDE10, 16 bytes long.
 Data: <  r4&#246;           > 10 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027D2FCDD9B0, 16 bytes long.
 Data: <p r4&#246;           > 70 04 72 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027D2FCDDE60, 16 bytes long.
 Data: < &#192;p4&#246;           > 18 C0 70 34 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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