Task 38685550

Name test_444-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND5355_0
Workunit 31627014
Created 27 Oct 2026, 21:39:01 UTC
Sent 27 Oct 2026, 21:39:09 UTC
Report deadline 1 Nov 2026, 21:39:09 UTC
Received 27 Oct 2026, 22:31:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 588349
Run time 29 min 59 sec
CPU time 27 min 20 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 731.98 MB
Peak swap size 6.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:01:31 (61740): wrapper (7.9.26016): starting
18:01:31 (61740): 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
18:01:40 (61740): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:01:40 (61740): 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
18:30:58 (61740): C:/Windows/system32/cmd.exe exited; CPU time 1640.765625
18:30:58 (61740): 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: 45547281 bytes.
Dumping objects ->
{3835302} normal block at 0x000002089B62EE50, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835291} normal block at 0x00000208999F6C80, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835280} normal block at 0x00000208999F6C10, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835269} normal block at 0x00000208999F69E0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000208999F6970, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835227} normal block at 0x000002089B677100, 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 0x000002089B690400, 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 0x00000208999EE9B0, 8 bytes long.
 Data: <  &#154;     > 00 00 9A 99 08 02 00 00 
{3834593} normal block at 0x000002089B68DB80, 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 0x00000208999EF310, 8 bytes long.
 Data: <&#192;&#198;h&#155;    > C0 C6 68 9B 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000208999F33A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000208999E7E90, 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 0x00000208999F7C70, 16 bytes long.
 Data: <X&#133;&#159;             > 58 85 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000208999F7860, 16 bytes long.
 Data: <0&#133;&#159;             > 30 85 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000208999F2690, 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 0x00000208999F7B30, 16 bytes long.
 Data: < &#133;&#159;             > 08 85 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000208999F72C0, 16 bytes long.
 Data: <&#224;&#132;&#159;             > E0 84 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000208999F7680, 16 bytes long.
 Data: <&#184;&#132;&#159;             > B8 84 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000208999F7270, 16 bytes long.
 Data: < &#132;&#159;             > 90 84 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000208999F6D60, 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 0x00000208999F7770, 16 bytes long.
 Data: <&#184; &#158;             > B8 0E 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000208999F25D0, 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 0x00000208999F7310, 16 bytes long.
 Data: <  &#158;             > 90 0E 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000208999F74F0, 16 bytes long.
 Data: <h &#158;             > 68 0E 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000208999F7AE0, 16 bytes long.
 Data: <@ &#158;             > 40 0E 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000208999F7CC0, 16 bytes long.
 Data: <  &#158;             > 18 0E 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000208999F7950, 16 bytes long.
 Data: <&#240; &#158;             > F0 0D 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000208999F7D60, 16 bytes long.
 Data: <&#200; &#158;             > C8 0D 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000208999F1FD0, 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 0x00000208999F81C0, 16 bytes long.
 Data: <&#160; &#158;             > A0 0D 9E 99 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000208999E0DA0, 320 bytes long.
 Data: <&#192; &#159;     &#208; &#159;     > C0 81 9F 99 08 02 00 00 D0 1F 9F 99 08 02 00 00 
{281} normal block at 0x00000208999F8170, 16 bytes long.
 Data: <p&#132;&#159;             > 70 84 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000208999F74A0, 16 bytes long.
 Data: <H&#132;&#159;             > 48 84 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000208999F2090, 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 0x00000208999F7810, 16 bytes long.
 Data: < &#132;&#159;             > 20 84 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000208999F1F10, 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 0x00000208999F8080, 16 bytes long.
 Data: <h&#131;&#159;             > 68 83 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000208999F7590, 16 bytes long.
 Data: <@&#131;&#159;             > 40 83 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000208999F7450, 16 bytes long.
 Data: < &#131;&#159;             > 18 83 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000208999F80D0, 16 bytes long.
 Data: <&#240;&#130;&#159;             > F0 82 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000208999F76D0, 16 bytes long.
 Data: <&#200;&#130;&#159;             > C8 82 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000208999F7F90, 16 bytes long.
 Data: <&#160;&#130;&#159;             > A0 82 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000208999F7D10, 16 bytes long.
 Data: <&#240;l&#159;             > F0 6C 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000208999F6CF0, 40 bytes long.
 Data: < }&#159;      qg&#155;    > 10 7D 9F 99 08 02 00 00 00 71 67 9B 08 02 00 00 
{267} normal block at 0x00000208999F78B0, 16 bytes long.
 Data: < &#130;&#159;             > 80 82 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000208999F7F40, 16 bytes long.
 Data: <X&#130;&#159;             > 58 82 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000208999F28D0, 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 0x00000208999F8120, 16 bytes long.
 Data: <0&#130;&#159;             > 30 82 9F 99 08 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000208999F8230, 992 bytes long.
 Data: <  &#159;     &#208;(&#159;     > 20 81 9F 99 08 02 00 00 D0 28 9F 99 08 02 00 00 
{99} normal block at 0x00000208999F1E50, 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 0x00000208999EF040, 16 bytes long.
 Data: < &#245;              > 20 F5 9D 99 08 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000208999DF520, 40 bytes long.
 Data: <@&#240;&#158;     P &#159;     > 40 F0 9E 99 08 02 00 00 50 1E 9F 99 08 02 00 00 
{76} normal block at 0x00000208999EF180, 16 bytes long.
 Data: < &#234;P&#142;&#246;           > 80 EA 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000208999EEFA0, 16 bytes long.
 Data: <@&#233;P&#142;&#246;           > 40 E9 50 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000208999EE730, 16 bytes long.
 Data: <&#248;WM&#142;&#246;           > F8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000208999EF130, 16 bytes long.
 Data: <&#216;WM&#142;&#246;           > D8 57 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000208999EE960, 16 bytes long.
 Data: <P M&#142;&#246;           > 50 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000208999EF400, 16 bytes long.
 Data: <0 M&#142;&#246;           > 30 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000208999EF4F0, 16 bytes long.
 Data: <&#224; M&#142;&#246;           > E0 02 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000208999EF360, 16 bytes long.
 Data: <  M&#142;&#246;           > 10 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000208999EF2C0, 16 bytes long.
 Data: <p M&#142;&#246;           > 70 04 4D 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000208999EEBE0, 16 bytes long.
 Data: < &#192;K&#142;&#246;           > 18 C0 4B 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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