Task 38676310

Name test_122-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9572_0
Workunit 31618234
Created 26 Oct 2026, 10:54:27 UTC
Sent 26 Oct 2026, 10:54:29 UTC
Report deadline 31 Oct 2026, 10:54:29 UTC
Received 26 Oct 2026, 12:25:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 588349
Run time 30 min 52 sec
CPU time 28 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.13 MB
Peak swap size 6.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:54:51 (204052): wrapper (7.9.26016): starting
07:54:51 (204052): 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
07:55:07 (204052): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:55:07 (204052): 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:\ProgramData\BOINC\slots\11\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:\ProgramData\BOINC\slots\11\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
08:25:16 (204052): C:/Windows/system32/cmd.exe exited; CPU time 1686.781250
08:25:16 (204052): called boinc_finish(0)
0 bytes in 0 Free Blocks.
732 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: 46651697 bytes.
Dumping objects ->
{3835303} normal block at 0x00000263BC42EEC0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835292} normal block at 0x00000263BA866900, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835281} normal block at 0x00000263BA866820, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835270} normal block at 0x00000263BA866890, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000263BA866BA0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835228} normal block at 0x00000263BC47A700, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x00000263BC490400, 238 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) : {3835213} normal block at 0x00000263BA85F360, 8 bytes long.
 Data: <  &#194;&#186;c   > 00 00 C2 BA 63 02 00 00 
{3834593} normal block at 0x00000263BC48DB80, 238 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x00000263BA85E820, 8 bytes long.
 Data: <&#192;&#198;H&#188;c   > C0 C6 48 BC 63 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000263BA863620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000263BA8578F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000263BA8679F0, 16 bytes long.
 Data: <X&#133;&#134;&#186;c           > 58 85 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000263BA867DB0, 16 bytes long.
 Data: <0&#133;&#134;&#186;c           > 30 85 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000263BA8629F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000263BA867BD0, 16 bytes long.
 Data: < &#133;&#134;&#186;c           > 08 85 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000263BA867B30, 16 bytes long.
 Data: <&#224;&#132;&#134;&#186;c           > E0 84 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000263BA867720, 16 bytes long.
 Data: <&#184;&#132;&#134;&#186;c           > B8 84 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000263BA867770, 16 bytes long.
 Data: < &#132;&#134;&#186;c           > 90 84 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000263BA866660, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000263BA867950, 16 bytes long.
 Data: <&#184; &#133;&#186;c           > B8 0E 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000263BA861C10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000263BA868080, 16 bytes long.
 Data: <  &#133;&#186;c           > 90 0E 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000263BA867310, 16 bytes long.
 Data: <h &#133;&#186;c           > 68 0E 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000263BA8680D0, 16 bytes long.
 Data: <@ &#133;&#186;c           > 40 0E 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000263BA8672C0, 16 bytes long.
 Data: <  &#133;&#186;c           > 18 0E 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000263BA8674A0, 16 bytes long.
 Data: <&#240; &#133;&#186;c           > F0 0D 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000263BA867AE0, 16 bytes long.
 Data: <&#200; &#133;&#186;c           > C8 0D 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000263BA861CD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000263BA8678B0, 16 bytes long.
 Data: <&#160; &#133;&#186;c           > A0 0D 85 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000263BA850DA0, 320 bytes long.
 Data: <&#176;x&#134;&#186;c   &#208; &#134;&#186;c   > B0 78 86 BA 63 02 00 00 D0 1C 86 BA 63 02 00 00 
{281} normal block at 0x00000263BA867EF0, 16 bytes long.
 Data: <p&#132;&#134;&#186;c           > 70 84 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000263BA8679A0, 16 bytes long.
 Data: <H&#132;&#134;&#186;c           > 48 84 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000263BA862690, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000263BA868030, 16 bytes long.
 Data: < &#132;&#134;&#186;c           > 20 84 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000263BA861E50, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000263BA8673B0, 16 bytes long.
 Data: <h&#131;&#134;&#186;c           > 68 83 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000263BA867D60, 16 bytes long.
 Data: <@&#131;&#134;&#186;c           > 40 83 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000263BA867400, 16 bytes long.
 Data: < &#131;&#134;&#186;c           > 18 83 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000263BA867860, 16 bytes long.
 Data: <&#240;&#130;&#134;&#186;c           > F0 82 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000263BA867270, 16 bytes long.
 Data: <&#200;&#130;&#134;&#186;c           > C8 82 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000263BA867FE0, 16 bytes long.
 Data: <&#160;&#130;&#134;&#186;c           > A0 82 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000263BA867F90, 16 bytes long.
 Data: < l&#134;&#186;c           > 10 6C 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000263BA866C10, 40 bytes long.
 Data: <  &#134;&#186;c    &#167;G&#188;c   > 90 7F 86 BA 63 02 00 00 00 A7 47 BC 63 02 00 00 
{267} normal block at 0x00000263BA867CC0, 16 bytes long.
 Data: < &#130;&#134;&#186;c           > 80 82 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000263BA867810, 16 bytes long.
 Data: <X&#130;&#134;&#186;c           > 58 82 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000263BA862930, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000263BA867C70, 16 bytes long.
 Data: <0&#130;&#134;&#186;c           > 30 82 86 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000263BA868230, 992 bytes long.
 Data: <p|&#134;&#186;c   0)&#134;&#186;c   > 70 7C 86 BA 63 02 00 00 30 29 86 BA 63 02 00 00 
{99} normal block at 0x00000263BA862270, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000263BA85E9B0, 16 bytes long.
 Data: < &#245;&#132;&#186;c           > 20 F5 84 BA 63 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000263BA84F520, 40 bytes long.
 Data: <&#176;&#233;&#133;&#186;c   p"&#134;&#186;c   > B0 E9 85 BA 63 02 00 00 70 22 86 BA 63 02 00 00 
{76} normal block at 0x00000263BA85EB90, 16 bytes long.
 Data: < &#234;&#137;&#237;&#246;           > 80 EA 89 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000263BA85F590, 16 bytes long.
 Data: <@&#233;&#137;&#237;&#246;           > 40 E9 89 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000263BA85F400, 16 bytes long.
 Data: <&#248;W&#134;&#237;&#246;           > F8 57 86 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000263BA85F220, 16 bytes long.
 Data: <&#216;W&#134;&#237;&#246;           > D8 57 86 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000263BA85F310, 16 bytes long.
 Data: <P &#134;&#237;&#246;           > 50 04 86 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000263BA85F3B0, 16 bytes long.
 Data: <0 &#134;&#237;&#246;           > 30 04 86 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000263BA85F130, 16 bytes long.
 Data: <&#224; &#134;&#237;&#246;           > E0 02 86 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000263BA85F1D0, 16 bytes long.
 Data: <  &#134;&#237;&#246;           > 10 04 86 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000263BA85E960, 16 bytes long.
 Data: <p &#134;&#237;&#246;           > 70 04 86 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000263BA85EE60, 16 bytes long.
 Data: < &#192;&#132;&#237;&#246;           > 18 C0 84 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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