Task 38685833

Name test_797-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND3095_0
Workunit 31627287
Created 27 Oct 2026, 23:12:05 UTC
Sent 27 Oct 2026, 23:12:10 UTC
Report deadline 1 Nov 2026, 23:12:10 UTC
Received 28 Oct 2026, 0:14:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 54 min 54 sec
CPU time 49 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 664.07 MB
Peak swap size 2.24 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:16:56 (10620): wrapper (7.9.26016): starting
02:16:56 (10620): 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
02:17:02 (10620): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:17:02 (10620): 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\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 'D:\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
03:09:49 (10620): C:/Windows/system32/cmd.exe exited; CPU time 2961.093750
03:09:49 (10620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 50414509 bytes.
Dumping objects ->
{3835529} normal block at 0x0000024611F33D10, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x0000024613A46540, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x0000024613A45A00, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x0000024613A45700, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x0000024613A45100, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x0000024611F33CA0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x0000024611F2C640, 200 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) : {3835440} normal block at 0x0000024611F295D0, 8 bytes long.
 Data: <  &#240; F   > 00 00 F0 11 46 02 00 00 
{3834685} normal block at 0x0000024611F2BDC0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000024611F29F30, 8 bytes long.
 Data: <&#240;&#216;&#160; F   > F0 D8 A0 13 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000024611F34360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024611F1B330, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000024611F35490, 16 bytes long.
 Data: <Xd&#243; F           > 58 64 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024611F35EE0, 16 bytes long.
 Data: <0d&#243; F           > 30 64 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024611F2EBA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000024611F35670, 16 bytes long.
 Data: < d&#243; F           > 08 64 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024611F35B70, 16 bytes long.
 Data: <&#224;c&#243; F           > E0 63 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024611F35DF0, 16 bytes long.
 Data: <&#184;c&#243; F           > B8 63 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024611F35A80, 16 bytes long.
 Data: <&#144;c&#243; F           > 90 63 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024611F33ED0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000024611F358A0, 16 bytes long.
 Data: <&#184;^&#241; F           > B8 5E F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024611F2EC60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000024611F356C0, 16 bytes long.
 Data: <&#144;^&#241; F           > 90 5E F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024611F358F0, 16 bytes long.
 Data: <h^&#241; F           > 68 5E F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024611F353A0, 16 bytes long.
 Data: <@^&#241; F           > 40 5E F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024611F35170, 16 bytes long.
 Data: < ^&#241; F           > 18 5E F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024611F35A30, 16 bytes long.
 Data: <&#240;]&#241; F           > F0 5D F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024611F35E90, 16 bytes long.
 Data: <&#200;]&#241; F           > C8 5D F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024611F2E420, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000024611F359E0, 16 bytes long.
 Data: <&#160;]&#241; F           > A0 5D F1 11 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024611F15DA0, 320 bytes long.
 Data: <&#224;Y&#243; F    &#228;&#242; F   > E0 59 F3 11 46 02 00 00 20 E4 F2 11 46 02 00 00 
{267} normal block at 0x0000024611F35DA0, 16 bytes long.
 Data: <pc&#243; F           > 70 63 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024611F35C60, 16 bytes long.
 Data: <Hc&#243; F           > 48 63 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024611F2E060, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000024611F35350, 16 bytes long.
 Data: < c&#243; F           > 20 63 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024611F2EDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000024611F35D50, 16 bytes long.
 Data: <hb&#243; F           > 68 62 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024611F357B0, 16 bytes long.
 Data: <@b&#243; F           > 40 62 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024611F35D00, 16 bytes long.
 Data: < b&#243; F           > 18 62 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024611F360C0, 16 bytes long.
 Data: <&#240;a&#243; F           > F0 61 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024611F35FD0, 16 bytes long.
 Data: <&#200;a&#243; F           > C8 61 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024611F354E0, 16 bytes long.
 Data: <&#160;a&#243; F           > A0 61 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000024611F35E40, 16 bytes long.
 Data: < :&#243; F           > 00 3A F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000024611F33A00, 40 bytes long.
 Data: <@^&#243; F   &#160;<&#243; F   > 40 5E F3 11 46 02 00 00 A0 3C F3 11 46 02 00 00 
{253} normal block at 0x0000024611F35990, 16 bytes long.
 Data: <&#128;a&#243; F           > 80 61 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000024611F36070, 16 bytes long.
 Data: <Xa&#243; F           > 58 61 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000024611F2E480, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000024611F35940, 16 bytes long.
 Data: <0a&#243; F           > 30 61 F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000024611F36130, 992 bytes long.
 Data: <@Y&#243; F   &#128;&#228;&#242; F   > 40 59 F3 11 46 02 00 00 80 E4 F2 11 46 02 00 00 
{85} normal block at 0x0000024611F2E9C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000024611F29EE0, 16 bytes long.
 Data: <&#240;=&#243; F           > F0 3D F3 11 46 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000024611F33DF0, 40 bytes long.
 Data: <&#224;&#158;&#242; F   &#192;&#233;&#242; F   > E0 9E F2 11 46 02 00 00 C0 E9 F2 11 46 02 00 00 
{62} normal block at 0x0000024611F2A1B0, 16 bytes long.
 Data: <&#128;&#234;&#241;&#226;&#246;           > 80 EA F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024611F29350, 16 bytes long.
 Data: <@&#233;&#241;&#226;&#246;           > 40 E9 F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024611F297B0, 16 bytes long.
 Data: <&#248;W&#238;&#226;&#246;           > F8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000024611F2A160, 16 bytes long.
 Data: <&#216;W&#238;&#226;&#246;           > D8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000024611F29B20, 16 bytes long.
 Data: <P &#238;&#226;&#246;           > 50 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000024611F29580, 16 bytes long.
 Data: <0 &#238;&#226;&#246;           > 30 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000024611F29BC0, 16 bytes long.
 Data: <&#224; &#238;&#226;&#246;           > E0 02 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000024611F293F0, 16 bytes long.
 Data: <  &#238;&#226;&#246;           > 10 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000024611F29990, 16 bytes long.
 Data: <p &#238;&#226;&#246;           > 70 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000024611F29B70, 16 bytes long.
 Data: < &#192;&#236;&#226;&#246;           > 18 C0 EC E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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