Task 38668148

Name test_733-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6306_0
Workunit 31610706
Created 25 Oct 2026, 10:48:32 UTC
Sent 25 Oct 2026, 10:48:37 UTC
Report deadline 30 Oct 2026, 10:48:37 UTC
Received 25 Oct 2026, 11:18:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627928
Run time 20 min 13 sec
CPU time 19 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.92 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:58:17 (8272): wrapper (7.9.26016): starting
11:58:17 (8272): 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
11:58:18 (8272): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:58:18 (8272): 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\32\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\32\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
12:17:56 (8272): C:/Windows/system32/cmd.exe exited; CPU time 1170.578125
12:17:56 (8272): 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: 21315143 bytes.
Dumping objects ->
{3835219} normal block at 0x00000140E2A4F540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000140E0C56E00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000140E0C56B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000140E0C56A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000140E0C56D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000140E2A9C3C0, 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) : {3835131} normal block at 0x00000140E0C503E0, 8 bytes long.
 Data: <   &#225;@   > 00 00 12 E1 40 01 00 00 
{3833967} normal block at 0x00000140E0C50700, 8 bytes long.
 Data: < Z&#178;&#226;@   > 10 5A B2 E2 40 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000140E0C524D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000140E0C47480, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x00000140E0C57860, 16 bytes long.
 Data: <&#216;&#130;&#197;&#224;@           > D8 82 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000140E0C56FF0, 16 bytes long.
 Data: <&#176;&#130;&#197;&#224;@           > B0 82 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000140E0C4E010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x00000140E0C57450, 16 bytes long.
 Data: < &#130;&#197;&#224;@           > 88 82 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000140E0C57400, 16 bytes long.
 Data: <`&#130;&#197;&#224;@           > 60 82 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000140E0C573B0, 16 bytes long.
 Data: <8&#130;&#197;&#224;@           > 38 82 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000140E0C57C70, 16 bytes long.
 Data: < &#130;&#197;&#224;@           > 10 82 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000140E0C56850, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x00000140E0C57810, 16 bytes long.
 Data: <&#248;&#249;&#195;&#224;@           > F8 F9 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000140E0C4E2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x00000140E0C574A0, 16 bytes long.
 Data: <&#208;&#249;&#195;&#224;@           > D0 F9 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000140E0C57360, 16 bytes long.
 Data: <&#168;&#249;&#195;&#224;@           > A8 F9 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000140E0C57EA0, 16 bytes long.
 Data: < &#249;&#195;&#224;@           > 80 F9 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000140E0C57900, 16 bytes long.
 Data: <X&#249;&#195;&#224;@           > 58 F9 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000140E0C57B30, 16 bytes long.
 Data: <0&#249;&#195;&#224;@           > 30 F9 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000140E0C57EF0, 16 bytes long.
 Data: < &#249;&#195;&#224;@           > 08 F9 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000140E0C4DDD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000140E0C57180, 16 bytes long.
 Data: <&#224;&#248;&#195;&#224;@           > E0 F8 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000140E0C3F8E0, 320 bytes long.
 Data: < q&#197;&#224;@   &#208;&#221;&#196;&#224;@   > 80 71 C5 E0 40 01 00 00 D0 DD C4 E0 40 01 00 00 
{279} normal block at 0x00000140E0C57040, 16 bytes long.
 Data: <&#240; &#197;&#224;@           > F0 81 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000140E0C57E50, 16 bytes long.
 Data: <&#200; &#197;&#224;@           > C8 81 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000140E0C4E430, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x00000140E0C57E00, 16 bytes long.
 Data: <&#160; &#197;&#224;@           > A0 81 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000140E0C4E850, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x00000140E0C576D0, 16 bytes long.
 Data: <&#232; &#197;&#224;@           > E8 80 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000140E0C571D0, 16 bytes long.
 Data: <&#192; &#197;&#224;@           > C0 80 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000140E0C577C0, 16 bytes long.
 Data: <  &#197;&#224;@           > 98 80 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000140E0C578B0, 16 bytes long.
 Data: <p &#197;&#224;@           > 70 80 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000140E0C57130, 16 bytes long.
 Data: <H &#197;&#224;@           > 48 80 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000140E0C57630, 16 bytes long.
 Data: <  &#197;&#224;@           > 20 80 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000140E0C57DB0, 16 bytes long.
 Data: <pn&#197;&#224;@           > 70 6E C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000140E0C56E70, 40 bytes long.
 Data: <&#176;}&#197;&#224;@   &#192;&#195;&#169;&#226;@   > B0 7D C5 E0 40 01 00 00 C0 C3 A9 E2 40 01 00 00 
{265} normal block at 0x00000140E0C57310, 16 bytes long.
 Data: <  &#197;&#224;@           > 00 80 C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000140E0C57220, 16 bytes long.
 Data: <&#216; &#197;&#224;@           > D8 7F C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000140E0C4E5B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000140E0C575E0, 16 bytes long.
 Data: <&#176; &#197;&#224;@           > B0 7F C5 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000140E0C57FB0, 992 bytes long.
 Data: <&#224;u&#197;&#224;@   &#176;&#229;&#196;&#224;@   > E0 75 C5 E0 40 01 00 00 B0 E5 C4 E0 40 01 00 00 
{97} normal block at 0x00000140E0C4E550, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x00000140E0C504D0, 16 bytes long.
 Data: < &#231;&#195;&#224;@           > 00 E7 C3 E0 40 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000140E0C3E700, 40 bytes long.
 Data: <&#208; &#197;&#224;@   P&#229;&#196;&#224;@   > D0 04 C5 E0 40 01 00 00 50 E5 C4 E0 40 01 00 00 
{74} normal block at 0x00000140E0C50390, 16 bytes long.
 Data: < &#234;\&#209;&#246;           > 80 EA 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000140E0C506B0, 16 bytes long.
 Data: <@&#233;\&#209;&#246;           > 40 E9 5C D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000140E0C502F0, 16 bytes long.
 Data: <&#248;WY&#209;&#246;           > F8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000140E0C4FC60, 16 bytes long.
 Data: <&#216;WY&#209;&#246;           > D8 57 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000140E0C507F0, 16 bytes long.
 Data: <P Y&#209;&#246;           > 50 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000140E0C4FE90, 16 bytes long.
 Data: <0 Y&#209;&#246;           > 30 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000140E0C502A0, 16 bytes long.
 Data: <&#224; Y&#209;&#246;           > E0 02 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000140E0C4FA80, 16 bytes long.
 Data: <  Y&#209;&#246;           > 10 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000140E0C4FF30, 16 bytes long.
 Data: <p Y&#209;&#246;           > 70 04 59 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000140E0C4FB20, 16 bytes long.
 Data: < &#192;W&#209;&#246;           > 18 C0 57 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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