Task 38687109

Name test_461-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1783_0
Workunit 31628515
Created 28 Oct 2026, 6:03:36 UTC
Sent 28 Oct 2026, 6:03:42 UTC
Report deadline 2 Nov 2026, 6:03:42 UTC
Received 28 Oct 2026, 6:59:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 25 min
CPU time 23 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.88 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:34:43 (36364): wrapper (7.9.26016): starting
08:34:43 (36364): 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
08:34:44 (36364): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:34:44 (36364): 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\21\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\21\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
08:58:49 (36364): C:/Windows/system32/cmd.exe exited; CPU time 1423.625000
08:58:49 (36364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 28762801 bytes.
Dumping objects ->
{3835575} normal block at 0x00000212EB7FA750, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x00000212EB7FAD00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x00000212EB7FA440, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x00000212EB7FA830, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x00000212EB7D52A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x00000212ED56A8B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x00000212EB83A6C0, 140 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) : {3835486} normal block at 0x00000212EB7CA7B0, 8 bytes long.
 Data: <  &#225;&#235;    > 00 00 E1 EB 12 02 00 00 
{3834707} normal block at 0x00000212EB83A520, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x00000212EB7CB070, 8 bytes long.
 Data: <PI}&#235;    > 50 49 7D EB 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000212EB7D2470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000212EB7C7240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x00000212EB7D6400, 16 bytes long.
 Data: <8m}&#235;            > 38 6D 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000212EB7D5CD0, 16 bytes long.
 Data: < m}&#235;            > 10 6D 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000212EB7CEA80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x00000212EB7D6860, 16 bytes long.
 Data: <&#232;l}&#235;            > E8 6C 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000212EB7D5BE0, 16 bytes long.
 Data: <&#192;l}&#235;            > C0 6C 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000212EB7D5D70, 16 bytes long.
 Data: < l}&#235;            > 98 6C 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000212EB7D6360, 16 bytes long.
 Data: <pl}&#235;            > 70 6C 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000212EB7D5230, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x00000212EB7D5C80, 16 bytes long.
 Data: <(&#245;{&#235;            > 28 F5 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000212EB7CF4A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x00000212EB7D6810, 16 bytes long.
 Data: < &#245;{&#235;            > 00 F5 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000212EB7D5FF0, 16 bytes long.
 Data: <&#216;&#244;{&#235;            > D8 F4 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000212EB7D67C0, 16 bytes long.
 Data: <&#176;&#244;{&#235;            > B0 F4 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000212EB7D6130, 16 bytes long.
 Data: < &#244;{&#235;            > 88 F4 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000212EB7D6950, 16 bytes long.
 Data: <`&#244;{&#235;            > 60 F4 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000212EB7D6270, 16 bytes long.
 Data: <8&#244;{&#235;            > 38 F4 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000212EB7CF440, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x00000212EB7D61D0, 16 bytes long.
 Data: < &#244;{&#235;            > 10 F4 7B EB 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000212EB7BF410, 320 bytes long.
 Data: <&#208;a}&#235;    @&#244;|&#235;    > D0 61 7D EB 12 02 00 00 40 F4 7C EB 12 02 00 00 
{283} normal block at 0x00000212EB7D5B40, 16 bytes long.
 Data: <Pl}&#235;            > 50 6C 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000212EB7D5DC0, 16 bytes long.
 Data: <(l}&#235;            > 28 6C 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000212EB7CF020, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x00000212EB7D6770, 16 bytes long.
 Data: < l}&#235;            > 00 6C 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000212EB7CEDE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x00000212EB7D6590, 16 bytes long.
 Data: <Hk}&#235;            > 48 6B 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000212EB7D6720, 16 bytes long.
 Data: < k}&#235;            > 20 6B 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000212EB7D66D0, 16 bytes long.
 Data: <&#248;j}&#235;            > F8 6A 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212EB7D6680, 16 bytes long.
 Data: <&#208;j}&#235;            > D0 6A 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000212EB7D5AF0, 16 bytes long.
 Data: <&#168;j}&#235;            > A8 6A 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212EB7D5F00, 16 bytes long.
 Data: < j}&#235;            > 80 6A 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000212EB7D6630, 16 bytes long.
 Data: <@N}&#235;            > 40 4E 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000212EB7D4E40, 40 bytes long.
 Data: <0f}&#235;    &#176;&#168;V&#237;    > 30 66 7D EB 12 02 00 00 B0 A8 56 ED 12 02 00 00 
{269} normal block at 0x00000212EB7D5A50, 16 bytes long.
 Data: <`j}&#235;            > 60 6A 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000212EB7D6540, 16 bytes long.
 Data: <8j}&#235;            > 38 6A 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000212EB7CF560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x00000212EB7D5FA0, 16 bytes long.
 Data: < j}&#235;            > 10 6A 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000212EB7D6A10, 992 bytes long.
 Data: <&#160;_}&#235;    `&#245;|&#235;    > A0 5F 7D EB 12 02 00 00 60 F5 7C EB 12 02 00 00 
{101} normal block at 0x00000212EB7CE7E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x00000212EB7CB0C0, 16 bytes long.
 Data: <&#176;N}&#235;            > B0 4E 7D EB 12 02 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x00000212EB7D4EB0, 40 bytes long.
 Data: <&#192;&#176;|&#235;    &#224;&#231;|&#235;    > C0 B0 7C EB 12 02 00 00 E0 E7 7C EB 12 02 00 00 
{78} normal block at 0x00000212EB7CAF30, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000212EB7CB610, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000212EB7CAE90, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000212EB7CADA0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000212EB7CB340, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000212EB7CAC60, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000212EB7CB250, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000212EB7CAEE0, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000212EB7CA990, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000212EB7CAB70, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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