Task 38669902

Name test_123-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND1547_1
Workunit 31612163
Created 25 Oct 2026, 15:54:36 UTC
Sent 25 Oct 2026, 15:54:38 UTC
Report deadline 30 Oct 2026, 15:54:38 UTC
Received 25 Oct 2026, 16:30:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 31 min 12 sec
CPU time 31 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.18 MB
Peak swap size 13.15 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:56:48 (7472): wrapper (7.9.26016): starting
08:56:48 (7472): 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
08:56:50 (7472): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:56:50 (7472): 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\4\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\4\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
09:30:21 (7472): C:/Windows/system32/cmd.exe exited; CPU time 1872.546875
09:30:21 (7472): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 29895543 bytes.
Dumping objects ->
{3835240} normal block at 0x0000021EFF664B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000021EFF664AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000021EFF665020, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000021EFF664D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000021EFF664CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000021EFFEAA480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000021EFF68A840, 155 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) : {3835151} normal block at 0x0000021EFF65F900, 8 bytes long.
 Data: <  &#162;&#255;    > 00 00 A2 FF 1E 02 00 00 
{3834548} normal block at 0x0000021EFF68A060, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000021EFF65EFA0, 8 bytes long.
 Data: <`&#130;&#233;&#255;    > 60 82 E9 FF 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000021EFF660F70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021EFF656890, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000021EFF665D90, 16 bytes long.
 Data: <8jf&#255;            > 38 6A 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021EFF665840, 16 bytes long.
 Data: < jf&#255;            > 10 6A 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021EFF65FB80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000021EFF665D40, 16 bytes long.
 Data: <&#232;if&#255;            > E8 69 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021EFF665E80, 16 bytes long.
 Data: <&#192;if&#255;            > C0 69 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021EFF666290, 16 bytes long.
 Data: < if&#255;            > 98 69 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021EFF6661A0, 16 bytes long.
 Data: <pif&#255;            > 70 69 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021EFF664D80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000021EFF666100, 16 bytes long.
 Data: <&#232; e&#255;            > E8 90 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021EFF660780, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000021EFF6666A0, 16 bytes long.
 Data: <&#192; e&#255;            > C0 90 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021EFF665BB0, 16 bytes long.
 Data: <  e&#255;            > 98 90 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021EFF665C50, 16 bytes long.
 Data: <p e&#255;            > 70 90 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021EFF666510, 16 bytes long.
 Data: <H e&#255;            > 48 90 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021EFF6660B0, 16 bytes long.
 Data: <  e&#255;            > 20 90 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021EFF665890, 16 bytes long.
 Data: <&#248; e&#255;            > F8 8F 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021EFF65FC40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000021EFF666420, 16 bytes long.
 Data: <&#208; e&#255;            > D0 8F 65 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021EFF658FD0, 320 bytes long.
 Data: < df&#255;    @&#252;e&#255;    > 20 64 66 FF 1E 02 00 00 40 FC 65 FF 1E 02 00 00 
{274} normal block at 0x0000021EFF666600, 16 bytes long.
 Data: <Pif&#255;            > 50 69 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021EFF666060, 16 bytes long.
 Data: <(if&#255;            > 28 69 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021EFF65FD00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000021EFF6657F0, 16 bytes long.
 Data: < if&#255;            > 00 69 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021EFF6605A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000021EFF665CF0, 16 bytes long.
 Data: <Hhf&#255;            > 48 68 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021EFF6664C0, 16 bytes long.
 Data: < hf&#255;            > 20 68 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021EFF666010, 16 bytes long.
 Data: <&#248;gf&#255;            > F8 67 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021EFF665CA0, 16 bytes long.
 Data: <&#208;gf&#255;            > D0 67 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021EFF665E30, 16 bytes long.
 Data: <&#168;gf&#255;            > A8 67 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021EFF6657A0, 16 bytes long.
 Data: < gf&#255;            > 80 67 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021EFF665AC0, 16 bytes long.
 Data: <0Lf&#255;            > 30 4C 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021EFF664C30, 40 bytes long.
 Data: <&#192;Zf&#255;     &#164;&#234;&#255;    > C0 5A 66 FF 1E 02 00 00 80 A4 EA FF 1E 02 00 00 
{260} normal block at 0x0000021EFF665750, 16 bytes long.
 Data: <`gf&#255;            > 60 67 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021EFF666650, 16 bytes long.
 Data: <8gf&#255;            > 38 67 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021EFF6603C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000021EFF665C00, 16 bytes long.
 Data: < gf&#255;            > 10 67 66 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021EFF666710, 992 bytes long.
 Data: < \f&#255;    &#192; f&#255;    > 00 5C 66 FF 1E 02 00 00 C0 03 66 FF 1E 02 00 00 
{92} normal block at 0x0000021EFF660300, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000021EFF65EFF0, 16 bytes long.
 Data: <&#176;&#199;d&#255;            > B0 C7 64 FF 1E 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000021EFF64C7B0, 40 bytes long.
 Data: <&#240;&#239;e&#255;      f&#255;    > F0 EF 65 FF 1E 02 00 00 00 03 66 FF 1E 02 00 00 
{69} normal block at 0x0000021EFF65F860, 16 bytes long.
 Data: < &#234;}{&#246;           > 80 EA 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021EFF65EB90, 16 bytes long.
 Data: <@&#233;}{&#246;           > 40 E9 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021EFF65F360, 16 bytes long.
 Data: <&#248;Wz{&#246;           > F8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021EFF65ED20, 16 bytes long.
 Data: <&#216;Wz{&#246;           > D8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021EFF65ECD0, 16 bytes long.
 Data: <P z{&#246;           > 50 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021EFF65F810, 16 bytes long.
 Data: <0 z{&#246;           > 30 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021EFF65F7C0, 16 bytes long.
 Data: <&#224; z{&#246;           > E0 02 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021EFF65F8B0, 16 bytes long.
 Data: <  z{&#246;           > 10 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021EFF65EB40, 16 bytes long.
 Data: <p z{&#246;           > 70 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021EFF65F040, 16 bytes long.
 Data: < &#192;x{&#246;           > 18 C0 78 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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