Task 38667960

Name test_312-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6398_0
Workunit 31610528
Created 25 Oct 2026, 10:08:04 UTC
Sent 25 Oct 2026, 10:08:15 UTC
Report deadline 30 Oct 2026, 10:08:15 UTC
Received 25 Oct 2026, 11:25:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 634205
Run time 1 hours 10 min 30 sec
CPU time 1 hours 8 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 763.39 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.4</core_client_version>
<![CDATA[
<stderr_txt>
21:16:08 (15192): wrapper (7.9.26016): starting
21:16:08 (15192): 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
21:16:09 (15192): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:16:09 (15192): 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\3\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\3\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
22:25:14 (15192): C:/Windows/system32/cmd.exe exited; CPU time 4116.640625
22:25:14 (15192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 87456355 bytes.
Dumping objects ->
{3835521} normal block at 0x0000022AFD8892A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000022AFD889000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x0000022AFD889070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x0000022AFD888F90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x0000022AFD8893F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x0000022AFF5B6920, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835433} normal block at 0x0000022AFD860BC0, 8 bytes long.
 Data: <  ~&#253;*   > 00 00 7E FD 2A 02 00 00 
{3833971} normal block at 0x0000022AFD860FD0, 8 bytes long.
 Data: < &#229;L&#255;*   > 80 E5 4C FF 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000022AFD856780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022AFD857010, 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 0x0000022AFD865E60, 16 bytes long.
 Data: <Xf&#134;&#253;*           > 58 66 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022AFD865690, 16 bytes long.
 Data: <0f&#134;&#253;*           > 30 66 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022AFD85FD60, 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 0x0000022AFD865E10, 16 bytes long.
 Data: < f&#134;&#253;*           > 08 66 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022AFD865460, 16 bytes long.
 Data: <&#224;e&#134;&#253;*           > E0 65 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022AFD865BE0, 16 bytes long.
 Data: <&#184;e&#134;&#253;*           > B8 65 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022AFD8659B0, 16 bytes long.
 Data: < e&#134;&#253;*           > 90 65 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022AFD85E3E0, 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 0x0000022AFD865640, 16 bytes long.
 Data: <  &#133;&#253;*           > 08 02 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022AFD860540, 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 0x0000022AFD865910, 16 bytes long.
 Data: <&#224; &#133;&#253;*           > E0 01 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022AFD866130, 16 bytes long.
 Data: <&#184; &#133;&#253;*           > B8 01 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022AFD865EB0, 16 bytes long.
 Data: <  &#133;&#253;*           > 90 01 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022AFD865FF0, 16 bytes long.
 Data: <h &#133;&#253;*           > 68 01 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022AFD8653C0, 16 bytes long.
 Data: <@ &#133;&#253;*           > 40 01 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022AFD866040, 16 bytes long.
 Data: <  &#133;&#253;*           > 18 01 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022AFD85FA00, 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 0x0000022AFD865410, 16 bytes long.
 Data: <&#240; &#133;&#253;*           > F0 00 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022AFD8500F0, 320 bytes long.
 Data: < T&#134;&#253;*    &#250;&#133;&#253;*   > 10 54 86 FD 2A 02 00 00 00 FA 85 FD 2A 02 00 00 
{281} normal block at 0x0000022AFD865B90, 16 bytes long.
 Data: <pe&#134;&#253;*           > 70 65 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022AFD865F50, 16 bytes long.
 Data: <He&#134;&#253;*           > 48 65 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022AFD8600C0, 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 0x0000022AFD865960, 16 bytes long.
 Data: < e&#134;&#253;*           > 20 65 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022AFD85F9A0, 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 0x0000022AFD865F00, 16 bytes long.
 Data: <hd&#134;&#253;*           > 68 64 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022AFD865AF0, 16 bytes long.
 Data: <@d&#134;&#253;*           > 40 64 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022AFD865820, 16 bytes long.
 Data: < d&#134;&#253;*           > 18 64 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022AFD8658C0, 16 bytes long.
 Data: <&#240;c&#134;&#253;*           > F0 63 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022AFD865B40, 16 bytes long.
 Data: <&#200;c&#134;&#253;*           > C8 63 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022AFD865DC0, 16 bytes long.
 Data: <&#160;c&#134;&#253;*           > A0 63 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022AFD865CD0, 16 bytes long.
 Data: <0&#229;&#133;&#253;*           > 30 E5 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022AFD85E530, 40 bytes long.
 Data: <&#208;\&#134;&#253;*    i[&#255;*   > D0 5C 86 FD 2A 02 00 00 20 69 5B FF 2A 02 00 00 
{267} normal block at 0x0000022AFD865870, 16 bytes long.
 Data: < c&#134;&#253;*           > 80 63 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022AFD8654B0, 16 bytes long.
 Data: <Xc&#134;&#253;*           > 58 63 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022AFD85FD00, 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 0x0000022AFD8655F0, 16 bytes long.
 Data: <0c&#134;&#253;*           > 30 63 86 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022AFD866330, 992 bytes long.
 Data: <&#240;U&#134;&#253;*    &#253;&#133;&#253;*   > F0 55 86 FD 2A 02 00 00 00 FD 85 FD 2A 02 00 00 
{99} normal block at 0x0000022AFD85FCA0, 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 0x0000022AFD860B20, 16 bytes long.
 Data: <p&#227;&#133;&#253;*           > 70 E3 85 FD 2A 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x0000022AFD85E370, 40 bytes long.
 Data: <  &#134;&#253;*   &#160;&#252;&#133;&#253;*   > 20 0B 86 FD 2A 02 00 00 A0 FC 85 FD 2A 02 00 00 
{76} normal block at 0x0000022AFD8617A0, 16 bytes long.
 Data: < &#234;s&#183;&#247;           > 80 EA 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022AFD8617F0, 16 bytes long.
 Data: <@&#233;s&#183;&#247;           > 40 E9 73 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022AFD860F80, 16 bytes long.
 Data: <&#248;Wp&#183;&#247;           > F8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022AFD860DA0, 16 bytes long.
 Data: <&#216;Wp&#183;&#247;           > D8 57 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022AFD8614D0, 16 bytes long.
 Data: <P p&#183;&#247;           > 50 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022AFD861160, 16 bytes long.
 Data: <0 p&#183;&#247;           > 30 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022AFD860940, 16 bytes long.
 Data: <&#224; p&#183;&#247;           > E0 02 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022AFD860990, 16 bytes long.
 Data: <  p&#183;&#247;           > 10 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022AFD861430, 16 bytes long.
 Data: <p p&#183;&#247;           > 70 04 70 B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022AFD861750, 16 bytes long.
 Data: < &#192;n&#183;&#247;           > 18 C0 6E B7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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