Task 38649717

Name test_252-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND6506_3
Workunit 31592089
Created 23 Oct 2026, 21:56:55 UTC
Sent 24 Oct 2026, 4:48:36 UTC
Report deadline 29 Oct 2026, 4:48:36 UTC
Received 24 Oct 2026, 6:47:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 27 min 43 sec
CPU time 25 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.30 MB
Peak swap size 6.90 GB
Peak disk usage 3.87 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:21:04 (33212): wrapper (7.9.26016): starting
01:21:04 (33212): 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
01:21:06 (33212): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:21:06 (33212): 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\14\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\14\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
01:47:31 (33212): C:/Windows/system32/cmd.exe exited; CPU time 1520.468750
01:47:31 (33212): 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: 35003085 bytes.
Dumping objects ->
{3835265} normal block at 0x0000022ADAACD000, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000022AD8E24FA0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000022AD8E24F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000022AD8E24B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000022AD8E24EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000022ADAB17270, 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) : {3835177} normal block at 0x0000022AD8E1ECF0, 8 bytes long.
 Data: <  0&#217;*   > 00 00 30 D9 2A 02 00 00 
{3833963} normal block at 0x0000022AD8E1F100, 8 bytes long.
 Data: <0&#223;&#178;&#218;*   > 30 DF B2 DA 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022AD8E21030, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022AD8E16D90, 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 0x0000022AD8E25700, 16 bytes long.
 Data: < h&#226;&#216;*           > 08 68 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022AD8E256B0, 16 bytes long.
 Data: <&#224;g&#226;&#216;*           > E0 67 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022AD8E1FAA0, 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 0x0000022AD8E25DE0, 16 bytes long.
 Data: <&#184;g&#226;&#216;*           > B8 67 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022AD8E257F0, 16 bytes long.
 Data: < g&#226;&#216;*           > 90 67 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022AD8E25890, 16 bytes long.
 Data: <hg&#226;&#216;*           > 68 67 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022AD8E26420, 16 bytes long.
 Data: <@g&#226;&#216;*           > 40 67 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022AD8E24BB0, 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 0x0000022AD8E25AC0, 16 bytes long.
 Data: <&#248;&#182;&#224;&#216;*           > F8 B6 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022AD8E20340, 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 0x0000022AD8E25FC0, 16 bytes long.
 Data: <&#208;&#182;&#224;&#216;*           > D0 B6 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022AD8E25660, 16 bytes long.
 Data: <&#168;&#182;&#224;&#216;*           > A8 B6 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022AD8E25C00, 16 bytes long.
 Data: < &#182;&#224;&#216;*           > 80 B6 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022AD8E25D90, 16 bytes long.
 Data: <X&#182;&#224;&#216;*           > 58 B6 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022AD8E26330, 16 bytes long.
 Data: <0&#182;&#224;&#216;*           > 30 B6 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022AD8E25610, 16 bytes long.
 Data: < &#182;&#224;&#216;*           > 08 B6 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022AD8E1FB60, 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 0x0000022AD8E25B60, 16 bytes long.
 Data: <&#224;&#181;&#224;&#216;*           > E0 B5 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022AD8E0B5E0, 320 bytes long.
 Data: <`[&#226;&#216;*   `&#251;&#225;&#216;*   > 60 5B E2 D8 2A 02 00 00 60 FB E1 D8 2A 02 00 00 
{277} normal block at 0x0000022AD8E25E30, 16 bytes long.
 Data: < g&#226;&#216;*           > 20 67 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022AD8E260B0, 16 bytes long.
 Data: <&#248;f&#226;&#216;*           > F8 66 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022AD8E208E0, 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 0x0000022AD8E26470, 16 bytes long.
 Data: <&#208;f&#226;&#216;*           > D0 66 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022AD8E205E0, 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 0x0000022AD8E25CA0, 16 bytes long.
 Data: < f&#226;&#216;*           > 18 66 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022AD8E25A70, 16 bytes long.
 Data: <&#240;e&#226;&#216;*           > F0 65 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022AD8E25570, 16 bytes long.
 Data: <&#200;e&#226;&#216;*           > C8 65 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022AD8E26150, 16 bytes long.
 Data: <&#160;e&#226;&#216;*           > A0 65 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022AD8E263D0, 16 bytes long.
 Data: <xe&#226;&#216;*           > 78 65 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022AD8E25520, 16 bytes long.
 Data: <Pe&#226;&#216;*           > 50 65 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022AD8E25D40, 16 bytes long.
 Data: <&#224;M&#226;&#216;*           > E0 4D E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022AD8E24DE0, 40 bytes long.
 Data: <@]&#226;&#216;*   pr&#177;&#218;*   > 40 5D E2 D8 2A 02 00 00 70 72 B1 DA 2A 02 00 00 
{263} normal block at 0x0000022AD8E26290, 16 bytes long.
 Data: <0e&#226;&#216;*           > 30 65 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022AD8E255C0, 16 bytes long.
 Data: < e&#226;&#216;*           > 08 65 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022AD8E1FFE0, 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 0x0000022AD8E26380, 16 bytes long.
 Data: <&#224;d&#226;&#216;*           > E0 64 E2 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022AD8E264E0, 992 bytes long.
 Data: < c&#226;&#216;*   &#224;&#255;&#225;&#216;*   > 80 63 E2 D8 2A 02 00 00 E0 FF E1 D8 2A 02 00 00 
{95} normal block at 0x0000022AD8E20880, 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 0x0000022AD8E1F1A0, 16 bytes long.
 Data: <0&#213;&#224;&#216;*           > 30 D5 E0 D8 2A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022AD8E0D530, 40 bytes long.
 Data: <&#160;&#241;&#225;&#216;*     &#226;&#216;*   > A0 F1 E1 D8 2A 02 00 00 80 08 E2 D8 2A 02 00 00 
{72} normal block at 0x0000022AD8E1F2E0, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022AD8E1EE80, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022AD8E1F560, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022AD8E1ECA0, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022AD8E1F650, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022AD8E1EDE0, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022AD8E1F5B0, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022AD8E1EA70, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022AD8E1F290, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022AD8E1EA20, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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