Task 38694777

Name test_562-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5459_0
Workunit 31635508
Created 31 Oct 2026, 2:07:04 UTC
Sent 31 Oct 2026, 2:07:05 UTC
Report deadline 5 Nov 2026, 2:07:05 UTC
Received 31 Oct 2026, 13:52:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654310
Run time 31 min 56 sec
CPU time 26 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,102.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.37 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:22:16 (52804): wrapper (7.9.26016): starting
09:22:16 (52804): 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
09:22:18 (52804): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:22:18 (52804): 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\19\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\19\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
09:52:35 (52804): C:/Windows/system32/cmd.exe exited; CPU time 1613.328125
09:52:35 (52804): 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: 46238365 bytes.
Dumping objects ->
{3835250} normal block at 0x0000026D44738FB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000026D44739720, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000026D44738D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000026D44738CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000026D44739410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000026D46494D40, 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) : {3835162} normal block at 0x0000026D4470F440, 8 bytes long.
 Data: <  &#210;Dm   > 00 00 D2 44 6D 02 00 00 
{3833963} normal block at 0x0000026D4470F3F0, 8 bytes long.
 Data: < &#228;JFm   > 00 E4 4A 46 6D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026D4470DF80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026D44706440, 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 0x0000026D447162A0, 16 bytes long.
 Data: <&#200;ZqDm           > C8 5A 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026D447168E0, 16 bytes long.
 Data: <&#160;ZqDm           > A0 5A 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026D44710B20, 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 0x0000026D447163E0, 16 bytes long.
 Data: <xZqDm           > 78 5A 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026D447169D0, 16 bytes long.
 Data: <PZqDm           > 50 5A 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026D44715C60, 16 bytes long.
 Data: <(ZqDm           > 28 5A 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026D44716610, 16 bytes long.
 Data: < ZqDm           > 00 5A 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026D4470DD30, 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 0x0000026D44716AC0, 16 bytes long.
 Data: <&#200;&#183;oDm           > C8 B7 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026D44710760, 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 0x0000026D44716980, 16 bytes long.
 Data: <&#160;&#183;oDm           > A0 B7 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026D44716200, 16 bytes long.
 Data: <x&#183;oDm           > 78 B7 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026D44715E40, 16 bytes long.
 Data: <P&#183;oDm           > 50 B7 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026D447167A0, 16 bytes long.
 Data: <(&#183;oDm           > 28 B7 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026D447166B0, 16 bytes long.
 Data: < &#183;oDm           > 00 B7 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026D44716070, 16 bytes long.
 Data: <&#216;&#182;oDm           > D8 B6 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026D44710460, 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 0x0000026D44716B60, 16 bytes long.
 Data: <&#176;&#182;oDm           > B0 B6 6F 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026D446FB6B0, 320 bytes long.
 Data: <`kqDm   ` qDm   > 60 6B 71 44 6D 02 00 00 60 04 71 44 6D 02 00 00 
{277} normal block at 0x0000026D44716700, 16 bytes long.
 Data: <&#224;YqDm           > E0 59 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026D44716930, 16 bytes long.
 Data: <&#184;YqDm           > B8 59 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026D4470FE60, 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 0x0000026D44716B10, 16 bytes long.
 Data: < YqDm           > 90 59 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026D4470FF20, 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 0x0000026D44715F80, 16 bytes long.
 Data: <&#216;XqDm           > D8 58 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026D44715C10, 16 bytes long.
 Data: <&#176;XqDm           > B0 58 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026D44716160, 16 bytes long.
 Data: < XqDm           > 88 58 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026D44716020, 16 bytes long.
 Data: <`XqDm           > 60 58 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026D447164D0, 16 bytes long.
 Data: <8XqDm           > 38 58 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026D4470F1C0, 16 bytes long.
 Data: < XqDm           > 10 58 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026D4470F990, 16 bytes long.
 Data: <&#176;&#217;pDm           > B0 D9 70 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026D4470D9B0, 40 bytes long.
 Data: < &#249;pDm   @MIFm   > 90 F9 70 44 6D 02 00 00 40 4D 49 46 6D 02 00 00 
{263} normal block at 0x0000026D4470F0D0, 16 bytes long.
 Data: <&#240;WqDm           > F0 57 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026D4470F6C0, 16 bytes long.
 Data: <&#200;WqDm           > C8 57 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026D447106A0, 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 0x0000026D4470F030, 16 bytes long.
 Data: <&#160;WqDm           > A0 57 71 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026D447157A0, 992 bytes long.
 Data: <0&#240;pDm   &#160; qDm   > 30 F0 70 44 6D 02 00 00 A0 06 71 44 6D 02 00 00 
{95} normal block at 0x0000026D44710280, 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 0x0000026D4470EE50, 16 bytes long.
 Data: <0&#214;pDm           > 30 D6 70 44 6D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026D4470D630, 40 bytes long.
 Data: <P&#238;pDm     qDm   > 50 EE 70 44 6D 02 00 00 80 02 71 44 6D 02 00 00 
{72} normal block at 0x0000026D4470F3A0, 16 bytes long.
 Data: < &#234;&#140;G&#246;           > 80 EA 8C 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026D4470F260, 16 bytes long.
 Data: <@&#233;&#140;G&#246;           > 40 E9 8C 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026D4470F350, 16 bytes long.
 Data: <&#248;W&#137;G&#246;           > F8 57 89 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026D4470FBC0, 16 bytes long.
 Data: <&#216;W&#137;G&#246;           > D8 57 89 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026D4470F620, 16 bytes long.
 Data: <P &#137;G&#246;           > 50 04 89 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026D4470F5D0, 16 bytes long.
 Data: <0 &#137;G&#246;           > 30 04 89 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026D4470EF90, 16 bytes long.
 Data: <&#224; &#137;G&#246;           > E0 02 89 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026D4470F300, 16 bytes long.
 Data: <  &#137;G&#246;           > 10 04 89 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026D4470FA80, 16 bytes long.
 Data: <p &#137;G&#246;           > 70 04 89 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026D4470FB70, 16 bytes long.
 Data: < &#192;&#135;G&#246;           > 18 C0 87 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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