Task 38655836

Name test_825-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND0791_0
Workunit 31599587
Created 24 Oct 2026, 10:02:52 UTC
Sent 24 Oct 2026, 10:03:04 UTC
Report deadline 29 Oct 2026, 10:03:04 UTC
Received 24 Oct 2026, 10:28:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648286
Run time 24 min 25 sec
CPU time 23 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.69 MB
Peak swap size 7.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:04:19 (14292): wrapper (7.9.26016): starting
12:04:19 (14292): 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
12:04:21 (14292): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:04:21 (14292): 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\0\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\0\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
12:27:42 (14292): C:/Windows/system32/cmd.exe exited; CPU time 1405.734375
12:27:42 (14292): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 16608947 bytes.
Dumping objects ->
{3835261} normal block at 0x0000021CC08A8A10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x0000021CC08A90A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000021CC08A9030, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835228} normal block at 0x0000021CC08A8EE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000021CC08A8F50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835186} normal block at 0x0000021CC264ABF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000021CC26A5C70, 160 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) : {3835172} normal block at 0x0000021CC087F2C0, 8 bytes long.
 Data: <  &#212;&#192;    > 00 00 D4 C0 1C 02 00 00 
{3834575} normal block at 0x0000021CC26A5FF0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833981} normal block at 0x0000021CC087F540, 8 bytes long.
 Data: <&#192;>j&#194;    > C0 3E 6A C2 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {322} normal block at 0x0000021CC0881760, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000021CC08763D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{306} normal block at 0x0000021CC0885540, 16 bytes long.
 Data: <&#216;g &#192;            > D8 67 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000021CC0885770, 16 bytes long.
 Data: <&#176;g &#192;            > B0 67 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000021CC087D6F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{303} normal block at 0x0000021CC0885DB0, 16 bytes long.
 Data: < g &#192;            > 88 67 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000021CC0886210, 16 bytes long.
 Data: <`g &#192;            > 60 67 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000021CC0885720, 16 bytes long.
 Data: <8g &#192;            > 38 67 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021CC0885680, 16 bytes long.
 Data: < g &#192;            > 10 67 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021CC087FC30, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{298} normal block at 0x0000021CC08854F0, 16 bytes long.
 Data: <H &#135;&#192;            > 48 01 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021CC087D630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{296} normal block at 0x0000021CC0885E50, 16 bytes long.
 Data: <  &#135;&#192;            > 20 01 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021CC0885CC0, 16 bytes long.
 Data: <&#248; &#135;&#192;            > F8 00 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021CC08863F0, 16 bytes long.
 Data: <&#208; &#135;&#192;            > D0 00 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021CC0885B30, 16 bytes long.
 Data: <&#168; &#135;&#192;            > A8 00 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021CC0885630, 16 bytes long.
 Data: <  &#135;&#192;            > 80 00 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021CC0885900, 16 bytes long.
 Data: <X &#135;&#192;            > 58 00 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021CC087DF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{288} normal block at 0x0000021CC0885BD0, 16 bytes long.
 Data: <0 &#135;&#192;            > 30 00 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021CC0870030, 320 bytes long.
 Data: <&#208;[ &#192;     &#223;&#135;&#192;    > D0 5B 88 C0 1C 02 00 00 90 DF 87 C0 1C 02 00 00 
{286} normal block at 0x0000021CC0885EA0, 16 bytes long.
 Data: <&#240;f &#192;            > F0 66 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021CC0885A40, 16 bytes long.
 Data: <&#200;f &#192;            > C8 66 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021CC087D8D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{283} normal block at 0x0000021CC08856D0, 16 bytes long.
 Data: <&#160;f &#192;            > A0 66 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021CC087DF30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{281} normal block at 0x0000021CC0885A90, 16 bytes long.
 Data: <&#232;e &#192;            > E8 65 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021CC08857C0, 16 bytes long.
 Data: <&#192;e &#192;            > C0 65 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021CC08860D0, 16 bytes long.
 Data: < e &#192;            > 98 65 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021CC0885F90, 16 bytes long.
 Data: <pe &#192;            > 70 65 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021CC08859A0, 16 bytes long.
 Data: <He &#192;            > 48 65 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021CC0885C20, 16 bytes long.
 Data: < e &#192;            > 20 65 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021CC0886170, 16 bytes long.
 Data: <&#208;&#254;&#135;&#192;            > D0 FE 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021CC087FED0, 40 bytes long.
 Data: <pa &#192;    &#240;&#171;d&#194;    > 70 61 88 C0 1C 02 00 00 F0 AB 64 C2 1C 02 00 00 
{272} normal block at 0x0000021CC0885AE0, 16 bytes long.
 Data: < e &#192;            > 00 65 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021CC08855E0, 16 bytes long.
 Data: <&#216;d &#192;            > D8 64 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021CC087D4B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{269} normal block at 0x0000021CC0886350, 16 bytes long.
 Data: <&#176;d &#192;            > B0 64 88 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021CC08864B0, 992 bytes long.
 Data: <Pc &#192;    &#176;&#212;&#135;&#192;    > 50 63 88 C0 1C 02 00 00 B0 D4 87 C0 1C 02 00 00 
{104} normal block at 0x0000021CC087D9F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{103} normal block at 0x0000021CC087ECD0, 16 bytes long.
 Data: < &#253;&#135;&#192;            > 80 FD 87 C0 1C 02 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x0000021CC087FD80, 40 bytes long.
 Data: <&#208;&#236;&#135;&#192;    &#240;&#217;&#135;&#192;    > D0 EC 87 C0 1C 02 00 00 F0 D9 87 C0 1C 02 00 00 
{81} normal block at 0x0000021CC087F860, 16 bytes long.
 Data: < &#234;&#220;&#142;&#246;           > 80 EA DC 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000021CC087ED70, 16 bytes long.
 Data: <@&#233;&#220;&#142;&#246;           > 40 E9 DC 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000021CC087F090, 16 bytes long.
 Data: <&#248;W&#217;&#142;&#246;           > F8 57 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000021CC087FA90, 16 bytes long.
 Data: <&#216;W&#217;&#142;&#246;           > D8 57 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000021CC087EC30, 16 bytes long.
 Data: <P &#217;&#142;&#246;           > 50 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000021CC087F040, 16 bytes long.
 Data: <0 &#217;&#142;&#246;           > 30 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000021CC087F3B0, 16 bytes long.
 Data: <&#224; &#217;&#142;&#246;           > E0 02 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000021CC087F810, 16 bytes long.
 Data: <  &#217;&#142;&#246;           > 10 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021CC087EC80, 16 bytes long.
 Data: <p &#217;&#142;&#246;           > 70 04 D9 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021CC087EBE0, 16 bytes long.
 Data: < &#192;&#215;&#142;&#246;           > 18 C0 D7 8E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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