Task 38677290

Name test_73-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1893_0
Workunit 31619169
Created 26 Oct 2026, 13:52:03 UTC
Sent 26 Oct 2026, 13:52:12 UTC
Report deadline 31 Oct 2026, 13:52:12 UTC
Received 26 Oct 2026, 14:22:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 50 sec
CPU time 27 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.59 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:53:31 (9000): wrapper (7.9.26016): starting
13:53:31 (9000): 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
13:53:32 (9000): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:53:32 (9000): 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\12\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\12\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
14:22:15 (9000): C:/Windows/system32/cmd.exe exited; CPU time 1629.671875
14:22:15 (9000): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 26718381 bytes.
Dumping objects ->
{3835306} normal block at 0x0000024560E63440, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000002455F154830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x000002455F1547C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x000002455F154750, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000002455F154C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x0000024560DD6880, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000024560DEEAA0, 102 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) : {3835217} normal block at 0x000002455F14F9D0, 8 bytes long.
 Data: <   _E   > 00 00 0F 5F 45 02 00 00 
{3834571} normal block at 0x0000024560DEE9F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002455F14FD90, 8 bytes long.
 Data: < &#161; _E   > 10 A1 17 5F 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002455F150DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002455F146750, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002455F155670, 16 bytes long.
 Data: <8f _E           > 38 66 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002455F155FD0, 16 bytes long.
 Data: < f _E           > 10 66 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002455F14EB90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002455F155530, 16 bytes long.
 Data: <&#232;e _E           > E8 65 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002455F155AD0, 16 bytes long.
 Data: <&#192;e _E           > C0 65 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002455F155800, 16 bytes long.
 Data: < e _E           > 98 65 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002455F155CB0, 16 bytes long.
 Data: <pe _E           > 70 65 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002455F154590, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002455F1554E0, 16 bytes long.
 Data: <&#168;  _E           > A8 8F 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002455F14F0D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002455F1561B0, 16 bytes long.
 Data: <   _E           > 80 8F 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002455F155C60, 16 bytes long.
 Data: <X  _E           > 58 8F 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002455F156110, 16 bytes long.
 Data: <0  _E           > 30 8F 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002455F155850, 16 bytes long.
 Data: <   _E           > 08 8F 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002455F156070, 16 bytes long.
 Data: <&#224;&#142; _E           > E0 8E 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002455F155DF0, 16 bytes long.
 Data: <&#184;&#142; _E           > B8 8E 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002455F14EA10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002455F155EE0, 16 bytes long.
 Data: < &#142; _E           > 90 8E 14 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002455F148E90, 320 bytes long.
 Data: <&#224;^ _E    &#234; _E   > E0 5E 15 5F 45 02 00 00 10 EA 14 5F 45 02 00 00 
{274} normal block at 0x000002455F156200, 16 bytes long.
 Data: <Pe _E           > 50 65 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002455F155E40, 16 bytes long.
 Data: <(e _E           > 28 65 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002455F14E950, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002455F155F30, 16 bytes long.
 Data: < e _E           > 00 65 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002455F14EAD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002455F155490, 16 bytes long.
 Data: <Hd _E           > 48 64 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002455F155A80, 16 bytes long.
 Data: < d _E           > 20 64 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002455F155760, 16 bytes long.
 Data: <&#248;c _E           > F8 63 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002455F155C10, 16 bytes long.
 Data: <&#208;c _E           > D0 63 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002455F1553A0, 16 bytes long.
 Data: <&#168;c _E           > A8 63 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002455F155440, 16 bytes long.
 Data: < c _E           > 80 63 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002455F155350, 16 bytes long.
 Data: <&#224;F _E           > E0 46 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002455F1546E0, 40 bytes long.
 Data: <PS _E    h&#221;`E   > 50 53 15 5F 45 02 00 00 80 68 DD 60 45 02 00 00 
{260} normal block at 0x000002455F1556C0, 16 bytes long.
 Data: <`c _E           > 60 63 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002455F1557B0, 16 bytes long.
 Data: <8c _E           > 38 63 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002455F14EE90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002455F1560C0, 16 bytes long.
 Data: < c _E           > 10 63 15 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002455F156310, 992 bytes long.
 Data: <&#192;` _E    &#238; _E   > C0 60 15 5F 45 02 00 00 90 EE 14 5F 45 02 00 00 
{92} normal block at 0x000002455F14E8F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002455F150470, 16 bytes long.
 Data: <@&#199; _E           > 40 C7 13 5F 45 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002455F13C740, 40 bytes long.
 Data: <p  _E   &#240;&#232; _E   > 70 04 15 5F 45 02 00 00 F0 E8 14 5F 45 02 00 00 
{69} normal block at 0x000002455F14FCA0, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002455F14FCF0, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002455F1505B0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002455F14FF20, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002455F14FB10, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002455F14FE80, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002455F14FDE0, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002455F14F840, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002455F1502E0, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002455F14FF70, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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