Task 38671813

Name test_946-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND4737_0
Workunit 31613998
Created 25 Oct 2026, 21:39:32 UTC
Sent 25 Oct 2026, 21:39:35 UTC
Report deadline 30 Oct 2026, 21:39:35 UTC
Received 25 Oct 2026, 22:03:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648120
Run time 22 min 54 sec
CPU time 18 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 751.84 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:40:38 (41724): wrapper (7.9.26016): starting
22:40:38 (41724): 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
22:40:39 (41724): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:40:39 (41724): 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\31\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\31\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
23:02:49 (41724): C:/Windows/system32/cmd.exe exited; CPU time 1081.968750
23:02:49 (41724): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 34548357 bytes.
Dumping objects ->
{3835618} normal block at 0x00000250CB20C900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835607} normal block at 0x00000250CB20C660, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835596} normal block at 0x00000250C93D4AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835585} normal block at 0x00000250C93D4A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835574} normal block at 0x00000250C93D4990, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x00000250CB257EF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x00000250CB26E7C0, 102 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) : {3835529} normal block at 0x00000250C93CECD0, 8 bytes long.
 Data: <  &#138;&#201;P   > 00 00 8A C9 50 02 00 00 
{3834721} normal block at 0x00000250CB26F160, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000250C93CF680, 8 bytes long.
 Data: < 3+&#203;P   > 20 33 2B CB 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000250C93D1600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000250C93C6780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000250C93D57F0, 16 bytes long.
 Data: < h=&#201;P           > 08 68 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000250C93D6330, 16 bytes long.
 Data: <&#224;g=&#201;P           > E0 67 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000250C93CFDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000250C93D62E0, 16 bytes long.
 Data: <&#184;g=&#201;P           > B8 67 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000250C93D6150, 16 bytes long.
 Data: < g=&#201;P           > 90 67 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000250C93D6060, 16 bytes long.
 Data: <hg=&#201;P           > 68 67 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000250C93D5FC0, 16 bytes long.
 Data: <@g=&#201;P           > 40 67 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000250C93D4BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000250C93D5700, 16 bytes long.
 Data: < &#181;;&#201;P           > 88 B5 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000250C93D0730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000250C93D6290, 16 bytes long.
 Data: <`&#181;;&#201;P           > 60 B5 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000250C93D5D40, 16 bytes long.
 Data: <8&#181;;&#201;P           > 38 B5 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000250C93D5930, 16 bytes long.
 Data: < &#181;;&#201;P           > 10 B5 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000250C93D5CF0, 16 bytes long.
 Data: <&#232;&#180;;&#201;P           > E8 B4 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000250C93D58E0, 16 bytes long.
 Data: <&#192;&#180;;&#201;P           > C0 B4 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000250C93D5B60, 16 bytes long.
 Data: < &#180;;&#201;P           > 98 B4 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000250C93CF8F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000250C93D5F70, 16 bytes long.
 Data: <p&#180;;&#201;P           > 70 B4 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000250C93BB470, 320 bytes long.
 Data: <p_=&#201;P   &#240;&#248;<&#201;P   > 70 5F 3D C9 50 02 00 00 F0 F8 3C C9 50 02 00 00 
{277} normal block at 0x00000250C93D57A0, 16 bytes long.
 Data: < g=&#201;P           > 20 67 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000250C93D61A0, 16 bytes long.
 Data: <&#248;f=&#201;P           > F8 66 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000250C93CFD70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000250C93D60B0, 16 bytes long.
 Data: <&#208;f=&#201;P           > D0 66 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000250C93D0190, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000250C93D6010, 16 bytes long.
 Data: < f=&#201;P           > 18 66 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000250C93D5F20, 16 bytes long.
 Data: <&#240;e=&#201;P           > F0 65 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000250C93D5ED0, 16 bytes long.
 Data: <&#200;e=&#201;P           > C8 65 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000250C93D56B0, 16 bytes long.
 Data: <&#160;e=&#201;P           > A0 65 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000250C93D6470, 16 bytes long.
 Data: <xe=&#201;P           > 78 65 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000250C93D6240, 16 bytes long.
 Data: <Pe=&#201;P           > 50 65 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000250C93D5C50, 16 bytes long.
 Data: < I=&#201;P           > 20 49 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000250C93D4920, 40 bytes long.
 Data: <P\=&#201;P   &#240;~%&#203;P   > 50 5C 3D C9 50 02 00 00 F0 7E 25 CB 50 02 00 00 
{263} normal block at 0x00000250C93D5CA0, 16 bytes long.
 Data: <0e=&#201;P           > 30 65 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000250C93D5890, 16 bytes long.
 Data: < e=&#201;P           > 08 65 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000250C93CFE30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000250C93D6100, 16 bytes long.
 Data: <&#224;d=&#201;P           > E0 64 3D C9 50 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000250C93D64E0, 992 bytes long.
 Data: < a=&#201;P   0&#254;<&#201;P   > 00 61 3D C9 50 02 00 00 30 FE 3C C9 50 02 00 00 
{95} normal block at 0x00000250C93CFFB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000250C93CEA00, 16 bytes long.
 Data: < &#239;;&#201;P           > 20 EF 3B C9 50 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000250C93BEF20, 40 bytes long.
 Data: < &#234;<&#201;P   &#176;&#255;<&#201;P   > 00 EA 3C C9 50 02 00 00 B0 FF 3C C9 50 02 00 00 
{72} normal block at 0x00000250C93CF5E0, 16 bytes long.
 Data: < &#234;&#134;&#200;&#246;           > 80 EA 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000250C93CE910, 16 bytes long.
 Data: <@&#233;&#134;&#200;&#246;           > 40 E9 86 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000250C93CEDC0, 16 bytes long.
 Data: <&#248;W&#131;&#200;&#246;           > F8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000250C93CF770, 16 bytes long.
 Data: <&#216;W&#131;&#200;&#246;           > D8 57 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000250C93CF1D0, 16 bytes long.
 Data: <P &#131;&#200;&#246;           > 50 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000250C93CF360, 16 bytes long.
 Data: <0 &#131;&#200;&#246;           > 30 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000250C93CED20, 16 bytes long.
 Data: <&#224; &#131;&#200;&#246;           > E0 02 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000250C93CF540, 16 bytes long.
 Data: <  &#131;&#200;&#246;           > 10 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000250C93CF180, 16 bytes long.
 Data: <p &#131;&#200;&#246;           > 70 04 83 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000250C93CF130, 16 bytes long.
 Data: < &#192; &#200;&#246;           > 18 C0 81 C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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