Task 38652706

Name test_509-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND8824_0
Workunit 31596823
Created 24 Oct 2026, 4:22:11 UTC
Sent 24 Oct 2026, 4:33:39 UTC
Report deadline 29 Oct 2026, 4:33:39 UTC
Received 24 Oct 2026, 5:49:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616957
Run time 24 min 17 sec
CPU time 23 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,295.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.68 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:24:54 (20696): wrapper (7.9.26016): starting
07:24:54 (20696): 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
07:24:55 (20696): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:24:55 (20696): 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\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\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
07:48:45 (20696): C:/Windows/system32/cmd.exe exited; CPU time 1383.781250
07:48:45 (20696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 25694405 bytes.
Dumping objects ->
{3835266} normal block at 0x00000175F50558E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835255} normal block at 0x00000175F5055CD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x00000175F5055C60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835233} normal block at 0x00000175F5055BF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x00000175F5055870, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835191} normal block at 0x00000175F6ED9570, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835178} normal block at 0x00000175F504F2D0, 8 bytes long.
 Data: <  `&#245;u   > 00 00 60 F5 75 01 00 00 
{3833963} normal block at 0x00000175F504EC90, 8 bytes long.
 Data: < &#156; &#245;u   > 00 9C 07 F5 75 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000175F5046BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000175F5040540, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000175F50550E0, 16 bytes long.
 Data: <(a &#245;u           > 28 61 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000175F5054EB0, 16 bytes long.
 Data: < a &#245;u           > 00 61 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000175F5050040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000175F5054A50, 16 bytes long.
 Data: <&#216;` &#245;u           > D8 60 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000175F5054FF0, 16 bytes long.
 Data: <&#176;` &#245;u           > B0 60 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000175F5054690, 16 bytes long.
 Data: < ` &#245;u           > 88 60 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000175F50549B0, 16 bytes long.
 Data: <`` &#245;u           > 60 60 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000175F5055B80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000175F5054E10, 16 bytes long.
 Data: <x&#183; &#245;u           > 78 B7 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000175F5050520, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000175F5054A00, 16 bytes long.
 Data: <P&#183; &#245;u           > 50 B7 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000175F5054DC0, 16 bytes long.
 Data: <(&#183; &#245;u           > 28 B7 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000175F5054320, 16 bytes long.
 Data: < &#183; &#245;u           > 00 B7 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000175F5054640, 16 bytes long.
 Data: <&#216;&#182; &#245;u           > D8 B6 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000175F50542D0, 16 bytes long.
 Data: <&#176;&#182; &#245;u           > B0 B6 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000175F5054D70, 16 bytes long.
 Data: < &#182; &#245;u           > 88 B6 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000175F504FCE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000175F5054410, 16 bytes long.
 Data: <`&#182; &#245;u           > 60 B6 03 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000175F503B660, 320 bytes long.
 Data: < D &#245;u   &#224;&#252; &#245;u   > 10 44 05 F5 75 01 00 00 E0 FC 04 F5 75 01 00 00 
{277} normal block at 0x00000175F5055040, 16 bytes long.
 Data: <@` &#245;u           > 40 60 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000175F5054F00, 16 bytes long.
 Data: < ` &#245;u           > 18 60 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000175F504FE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000175F5055090, 16 bytes long.
 Data: <&#240;_ &#245;u           > F0 5F 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000175F504FDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000175F5054910, 16 bytes long.
 Data: <8_ &#245;u           > 38 5F 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000175F5054870, 16 bytes long.
 Data: < _ &#245;u           > 10 5F 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000175F50547D0, 16 bytes long.
 Data: <&#232;^ &#245;u           > E8 5E 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000175F5054730, 16 bytes long.
 Data: <&#192;^ &#245;u           > C0 5E 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000175F5054960, 16 bytes long.
 Data: < ^ &#245;u           > 98 5E 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000175F50548C0, 16 bytes long.
 Data: <p^ &#245;u           > 70 5E 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000175F5054E60, 16 bytes long.
 Data: < [ &#245;u           > 10 5B 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000175F5055B10, 40 bytes long.
 Data: <`N &#245;u   p&#149;&#237;&#246;u   > 60 4E 05 F5 75 01 00 00 70 95 ED F6 75 01 00 00 
{263} normal block at 0x00000175F5054280, 16 bytes long.
 Data: <P^ &#245;u           > 50 5E 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000175F50543C0, 16 bytes long.
 Data: <(^ &#245;u           > 28 5E 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000175F50504C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000175F50544B0, 16 bytes long.
 Data: < ^ &#245;u           > 00 5E 05 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000175F5055E00, 992 bytes long.
 Data: <&#176;D &#245;u   &#192;  &#245;u   > B0 44 05 F5 75 01 00 00 C0 04 05 F5 75 01 00 00 
{95} normal block at 0x00000175F50507C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000175F504F640, 16 bytes long.
 Data: < &#234; &#245;u           > 80 EA 04 F5 75 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000175F504EA80, 40 bytes long.
 Data: <@&#246; &#245;u   &#192;  &#245;u   > 40 F6 04 F5 75 01 00 00 C0 07 05 F5 75 01 00 00 
{72} normal block at 0x00000175F504F280, 16 bytes long.
 Data: < &#234;\C&#247;           > 80 EA 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000175F504F9B0, 16 bytes long.
 Data: <@&#233;\C&#247;           > 40 E9 5C 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000175F504EB50, 16 bytes long.
 Data: <&#248;WYC&#247;           > F8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000175F504FA00, 16 bytes long.
 Data: <&#216;WYC&#247;           > D8 57 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000175F504EC40, 16 bytes long.
 Data: <P YC&#247;           > 50 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000175F504F5F0, 16 bytes long.
 Data: <0 YC&#247;           > 30 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000175F504EEC0, 16 bytes long.
 Data: <&#224; YC&#247;           > E0 02 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000175F504F910, 16 bytes long.
 Data: <  YC&#247;           > 10 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000175F504EF10, 16 bytes long.
 Data: <p YC&#247;           > 70 04 59 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000175F504F550, 16 bytes long.
 Data: < &#192;WC&#247;           > 18 C0 57 43 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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