Task 38699493

Name test_302-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND8270_0
Workunit 31639890
Created 4 Nov 2026, 11:51:27 UTC
Sent 4 Nov 2026, 11:51:32 UTC
Report deadline 9 Nov 2026, 11:51:32 UTC
Received 4 Nov 2026, 12:34:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628018
Run time 31 min 2 sec
CPU time 26 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 26,730.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.44 MB
Peak swap size 12.99 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:04:37 (48356): wrapper (7.9.26016): starting
05:04:37 (48356): 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
05:04:38 (48356): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:04:38 (48356): 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\5\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\5\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
05:34:12 (48356): C:/Windows/system32/cmd.exe exited; CPU time 1560.390625
05:34:12 (48356): 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: 46850573 bytes.
Dumping objects ->
{3835561} normal block at 0x000001EB057069B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000001EB05706940, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000001EB057068D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x000001EB05706860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000001EB05706EF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x000001EB074AC3E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000001EB05753C60, 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) : {3835472} normal block at 0x000001EB056FE370, 8 bytes long.
 Data: <  &#172; &#235;   > 00 00 AC 05 EB 01 00 00 
{3834703} normal block at 0x000001EB05752C20, 140 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 0x000001EB056FE230, 8 bytes long.
 Data: <&#192;&#223;: &#235;   > C0 DF 3A 07 EB 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001EB056FCF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001EB056F69C0, 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 0x000001EB057071E0, 16 bytes long.
 Data: < &#132;p &#235;           > 98 84 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001EB05707500, 16 bytes long.
 Data: <p&#132;p &#235;           > 70 84 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001EB056FFE20, 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 0x000001EB05707690, 16 bytes long.
 Data: <H&#132;p &#235;           > 48 84 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001EB05707140, 16 bytes long.
 Data: < &#132;p &#235;           > 20 84 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EB057075A0, 16 bytes long.
 Data: <&#248;&#131;p &#235;           > F8 83 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EB057070F0, 16 bytes long.
 Data: <&#208;&#131;p &#235;           > D0 83 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EB05706B70, 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 0x000001EB057073C0, 16 bytes long.
 Data: < &#254;n &#235;           > 98 FE 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EB05700CC0, 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 0x000001EB057070A0, 16 bytes long.
 Data: <p&#254;n &#235;           > 70 FE 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EB05707190, 16 bytes long.
 Data: <H&#254;n &#235;           > 48 FE 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EB05707F50, 16 bytes long.
 Data: < &#254;n &#235;           > 20 FE 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EB05707D20, 16 bytes long.
 Data: <&#248;&#253;n &#235;           > F8 FD 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EB05707AA0, 16 bytes long.
 Data: <&#208;&#253;n &#235;           > D0 FD 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EB05707370, 16 bytes long.
 Data: <&#168;&#253;n &#235;           > A8 FD 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EB05700A80, 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 0x000001EB05707A50, 16 bytes long.
 Data: < &#253;n &#235;           > 80 FD 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EB056EFD80, 320 bytes long.
 Data: <Pzp &#235;     p &#235;   > 50 7A 70 05 EB 01 00 00 80 0A 70 05 EB 01 00 00 
{281} normal block at 0x000001EB05707A00, 16 bytes long.
 Data: <&#176;&#131;p &#235;           > B0 83 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EB05707E60, 16 bytes long.
 Data: < &#131;p &#235;           > 88 83 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EB05700240, 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 0x000001EB057076E0, 16 bytes long.
 Data: <`&#131;p &#235;           > 60 83 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EB05700A20, 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 0x000001EB05707050, 16 bytes long.
 Data: <&#168;&#130;p &#235;           > A8 82 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EB05707640, 16 bytes long.
 Data: < &#130;p &#235;           > 80 82 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EB05707F00, 16 bytes long.
 Data: <X&#130;p &#235;           > 58 82 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EB05707CD0, 16 bytes long.
 Data: <0&#130;p &#235;           > 30 82 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EB05707320, 16 bytes long.
 Data: < &#130;p &#235;           > 08 82 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EB05707C80, 16 bytes long.
 Data: <&#224; p &#235;           > E0 81 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EB057072D0, 16 bytes long.
 Data: <Plp &#235;           > 50 6C 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EB05706C50, 40 bytes long.
 Data: <&#208;rp &#235;   &#224;&#195;J &#235;   > D0 72 70 05 EB 01 00 00 E0 C3 4A 07 EB 01 00 00 
{267} normal block at 0x000001EB05707EB0, 16 bytes long.
 Data: <&#192; p &#235;           > C0 81 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EB057075F0, 16 bytes long.
 Data: <  p &#235;           > 98 81 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EB057009C0, 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 0x000001EB05707820, 16 bytes long.
 Data: <p p &#235;           > 70 81 70 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EB05708170, 992 bytes long.
 Data: < xp &#235;   &#192;	p &#235;   > 20 78 70 05 EB 01 00 00 C0 09 70 05 EB 01 00 00 
{99} normal block at 0x000001EB056FFDC0, 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 0x000001EB056FDEC0, 16 bytes long.
 Data: < &#250;n &#235;           > 10 FA 6E 05 EB 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001EB056EFA10, 40 bytes long.
 Data: <&#192;&#222;o &#235;   &#192;&#253;o &#235;   > C0 DE 6F 05 EB 01 00 00 C0 FD 6F 05 EB 01 00 00 
{76} normal block at 0x000001EB056FDBA0, 16 bytes long.
 Data: < &#234;1&#172;&#246;           > 80 EA 31 AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001EB056FDE20, 16 bytes long.
 Data: <@&#233;1&#172;&#246;           > 40 E9 31 AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001EB056FE640, 16 bytes long.
 Data: <&#248;W.&#172;&#246;           > F8 57 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001EB056FE780, 16 bytes long.
 Data: <&#216;W.&#172;&#246;           > D8 57 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001EB056FDC40, 16 bytes long.
 Data: <P .&#172;&#246;           > 50 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EB056FE2D0, 16 bytes long.
 Data: <0 .&#172;&#246;           > 30 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EB056FDDD0, 16 bytes long.
 Data: <&#224; .&#172;&#246;           > E0 02 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EB056FE6E0, 16 bytes long.
 Data: <  .&#172;&#246;           > 10 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EB056FDD80, 16 bytes long.
 Data: <p .&#172;&#246;           > 70 04 2E AC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EB056FE7D0, 16 bytes long.
 Data: < &#192;,&#172;&#246;           > 18 C0 2C AC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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