Task 38679604

Name test_649-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5809_0
Workunit 31621374
Created 26 Oct 2026, 21:08:03 UTC
Sent 26 Oct 2026, 21:08:08 UTC
Report deadline 31 Oct 2026, 21:08:08 UTC
Received 26 Oct 2026, 21:47:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644675
Run time 25 min 39 sec
CPU time 21 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 756.04 MB
Peak swap size 10.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
17:20:45 (27692): wrapper (7.9.26016): starting
17:20:45 (27692): 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
17:20:46 (27692): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:20:46 (27692): 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\24\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\24\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
17:45:20 (27692): C:/Windows/system32/cmd.exe exited; CPU time 1273.984375
17:45:20 (27692): 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: 40595693 bytes.
Dumping objects ->
{3835602} normal block at 0x00000205E839F6D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835591} normal block at 0x00000205E839F9E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835580} normal block at 0x00000205E839FC80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835569} normal block at 0x00000205E65B6920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x00000205E65B68B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835527} normal block at 0x00000205E83E8290, 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) : {3835514} normal block at 0x00000205E65ABE10, 8 bytes long.
 Data: <  &#167;&#230;    > 00 00 A7 E6 05 02 00 00 
{3833973} normal block at 0x00000205E65AB6E0, 8 bytes long.
 Data: < &#235;/&#232;    > 00 EB 2F E8 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000205E65B1CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000205E65A8320, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x00000205E65B7100, 16 bytes long.
 Data: <H&#131;[&#230;            > 48 83 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000205E65B7F60, 16 bytes long.
 Data: < &#131;[&#230;            > 20 83 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000205E65B0060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x00000205E65B7790, 16 bytes long.
 Data: <&#248;&#130;[&#230;            > F8 82 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000205E65B7240, 16 bytes long.
 Data: <&#208;&#130;[&#230;            > D0 82 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000205E65B7740, 16 bytes long.
 Data: <&#168;&#130;[&#230;            > A8 82 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000205E65B71F0, 16 bytes long.
 Data: < &#130;[&#230;            > 80 82 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000205E65B6B50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x00000205E65B71A0, 16 bytes long.
 Data: < &#247;Y&#230;            > 08 F7 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000205E65B0420, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x00000205E65B76A0, 16 bytes long.
 Data: <&#224;&#246;Y&#230;            > E0 F6 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000205E65B7E70, 16 bytes long.
 Data: <&#184;&#246;Y&#230;            > B8 F6 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000205E65B75B0, 16 bytes long.
 Data: < &#246;Y&#230;            > 90 F6 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000205E65B7D30, 16 bytes long.
 Data: <h&#246;Y&#230;            > 68 F6 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000205E65B7C90, 16 bytes long.
 Data: <@&#246;Y&#230;            > 40 F6 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000205E65B7A60, 16 bytes long.
 Data: < &#246;Y&#230;            > 18 F6 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000205E65AF700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x00000205E65B7650, 16 bytes long.
 Data: <&#240;&#245;Y&#230;            > F0 F5 59 E6 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000205E659F5F0, 320 bytes long.
 Data: <Pv[&#230;     &#247;Z&#230;    > 50 76 5B E6 05 02 00 00 00 F7 5A E6 05 02 00 00 
{282} normal block at 0x00000205E65B7A10, 16 bytes long.
 Data: <`&#130;[&#230;            > 60 82 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000205E65B70B0, 16 bytes long.
 Data: <8&#130;[&#230;            > 38 82 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000205E65AFA60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x00000205E65B7970, 16 bytes long.
 Data: < &#130;[&#230;            > 10 82 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000205E65AFD60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x00000205E65B7920, 16 bytes long.
 Data: <X [&#230;            > 58 81 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000205E65B7880, 16 bytes long.
 Data: <0 [&#230;            > 30 81 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000205E65B7BF0, 16 bytes long.
 Data: <  [&#230;            > 08 81 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000205E65B7830, 16 bytes long.
 Data: <&#224; [&#230;            > E0 80 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000205E65B76F0, 16 bytes long.
 Data: <&#184; [&#230;            > B8 80 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000205E65B7060, 16 bytes long.
 Data: <  [&#230;            > 90 80 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000205E65B7EC0, 16 bytes long.
 Data: < j[&#230;            > 00 6A 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000205E65B6A00, 40 bytes long.
 Data: <&#192;~[&#230;     &#130;>&#232;    > C0 7E 5B E6 05 02 00 00 90 82 3E E8 05 02 00 00 
{268} normal block at 0x00000205E65B78D0, 16 bytes long.
 Data: <p [&#230;            > 70 80 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000205E65B7600, 16 bytes long.
 Data: <H [&#230;            > 48 80 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000205E65AFCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x00000205E65B7AB0, 16 bytes long.
 Data: <  [&#230;            > 20 80 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000205E65B8020, 992 bytes long.
 Data: <&#176;z[&#230;    &#160;&#252;Z&#230;    > B0 7A 5B E6 05 02 00 00 A0 FC 5A E6 05 02 00 00 
{100} normal block at 0x00000205E65AFD00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x00000205E65AB7D0, 16 bytes long.
 Data: <&#224;j[&#230;            > E0 6A 5B E6 05 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x00000205E65B6AE0, 40 bytes long.
 Data: <&#208;&#183;Z&#230;     &#253;Z&#230;    > D0 B7 5A E6 05 02 00 00 00 FD 5A E6 05 02 00 00 
{77} normal block at 0x00000205E65ABC30, 16 bytes long.
 Data: < &#234;&#236; &#247;           > 80 EA EC 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000205E65AB690, 16 bytes long.
 Data: <@&#233;&#236; &#247;           > 40 E9 EC 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000205E65ABD70, 16 bytes long.
 Data: <&#248;W&#233; &#247;           > F8 57 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000205E65AC360, 16 bytes long.
 Data: <&#216;W&#233; &#247;           > D8 57 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000205E65ABB40, 16 bytes long.
 Data: <P &#233; &#247;           > 50 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000205E65AB780, 16 bytes long.
 Data: <0 &#233; &#247;           > 30 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000205E65ABFA0, 16 bytes long.
 Data: <&#224; &#233; &#247;           > E0 02 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000205E65AB8C0, 16 bytes long.
 Data: <  &#233; &#247;           > 10 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000205E65AB500, 16 bytes long.
 Data: <p &#233; &#247;           > 70 04 E9 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000205E65AB820, 16 bytes long.
 Data: < &#192;&#231; &#247;           > 18 C0 E7 12 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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