Task 38682278

Name test_389-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2988_0
Workunit 31623901
Created 27 Oct 2026, 7:13:25 UTC
Sent 27 Oct 2026, 7:13:28 UTC
Report deadline 1 Nov 2026, 7:13:28 UTC
Received 27 Oct 2026, 10:31:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638201
Run time 47 min 27 sec
CPU time 45 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.34 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:44:47 (1256): wrapper (7.9.26016): starting
03:44:47 (1256): 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
03:44:49 (1256): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:44:49 (1256): 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\0\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\0\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
04:30:57 (1256): C:/Windows/system32/cmd.exe exited; CPU time 2704.671875
04:30:57 (1256): 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: 44342323 bytes.
Dumping objects ->
{3835263} normal block at 0x0000025A65B7CE40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835252} normal block at 0x0000025A65B7D3F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835241} normal block at 0x0000025A65B7C740, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835230} normal block at 0x0000025A63FF47A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000025A63FF4C70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835188} normal block at 0x0000025A65BC6440, 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) : {3835175} normal block at 0x0000025A63FEF360, 8 bytes long.
 Data: <  9dZ   > 00 00 39 64 5A 02 00 00 
{3833961} normal block at 0x0000025A63FEF180, 8 bytes long.
 Data: < &#222;&#189;eZ   > 80 DE BD 65 5A 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000025A63FF0A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025A63FE68F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000025A63FF60B0, 16 bytes long.
 Data: <hg&#255;cZ           > 68 67 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025A63FF58E0, 16 bytes long.
 Data: <@g&#255;cZ           > 40 67 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000025A63FEF850, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000025A63FF5A70, 16 bytes long.
 Data: < g&#255;cZ           > 18 67 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025A63FF5890, 16 bytes long.
 Data: <&#240;f&#255;cZ           > F0 66 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025A63FF5F20, 16 bytes long.
 Data: <&#200;f&#255;cZ           > C8 66 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025A63FF5660, 16 bytes long.
 Data: <&#160;f&#255;cZ           > A0 66 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025A63FF4960, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000025A63FF55C0, 16 bytes long.
 Data: <  &#254;cZ           > 98 8F FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025A63FF0690, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000025A63FF5A20, 16 bytes long.
 Data: <p &#254;cZ           > 70 8F FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025A63FF5840, 16 bytes long.
 Data: <H &#254;cZ           > 48 8F FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025A63FF5ED0, 16 bytes long.
 Data: <  &#254;cZ           > 20 8F FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025A63FF5E80, 16 bytes long.
 Data: <&#248;&#142;&#254;cZ           > F8 8E FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025A63FF5750, 16 bytes long.
 Data: <&#208;&#142;&#254;cZ           > D0 8E FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025A63FF5D90, 16 bytes long.
 Data: <&#168;&#142;&#254;cZ           > A8 8E FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025A63FEFE50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000025A63FF6290, 16 bytes long.
 Data: < &#142;&#254;cZ           > 80 8E FE 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025A63FE8E80, 320 bytes long.
 Data: < b&#255;cZ   P&#254;&#254;cZ   > 90 62 FF 63 5A 02 00 00 50 FE FE 63 5A 02 00 00 
{276} normal block at 0x0000025A63FF5E30, 16 bytes long.
 Data: < f&#255;cZ           > 80 66 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025A63FF6060, 16 bytes long.
 Data: <Xf&#255;cZ           > 58 66 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025A63FEFA90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000025A63FF5D40, 16 bytes long.
 Data: <0f&#255;cZ           > 30 66 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025A63FF0630, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000025A63FF5B60, 16 bytes long.
 Data: <xe&#255;cZ           > 78 65 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025A63FF5DE0, 16 bytes long.
 Data: <Pe&#255;cZ           > 50 65 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025A63FF61F0, 16 bytes long.
 Data: <(e&#255;cZ           > 28 65 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025A63FF57A0, 16 bytes long.
 Data: < e&#255;cZ           > 00 65 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025A63FF5C50, 16 bytes long.
 Data: <&#216;d&#255;cZ           > D8 64 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025A63FF5700, 16 bytes long.
 Data: <&#176;d&#255;cZ           > B0 64 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025A63FF5C00, 16 bytes long.
 Data: < K&#255;cZ           > 90 4B FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000025A63FF4B90, 40 bytes long.
 Data: < \&#255;cZ   @d&#188;eZ   > 00 5C FF 63 5A 02 00 00 40 64 BC 65 5A 02 00 00 
{262} normal block at 0x0000025A63FF57F0, 16 bytes long.
 Data: < d&#255;cZ           > 90 64 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025A63FF56B0, 16 bytes long.
 Data: <hd&#255;cZ           > 68 64 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000025A63FEFD90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000025A63FF5CF0, 16 bytes long.
 Data: <@d&#255;cZ           > 40 64 FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025A63FF6440, 992 bytes long.
 Data: <&#240;\&#255;cZ    &#253;&#254;cZ   > F0 5C FF 63 5A 02 00 00 90 FD FE 63 5A 02 00 00 
{94} normal block at 0x0000025A63FEFBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000025A63FEE9B0, 16 bytes long.
 Data: <&#224;L&#255;cZ           > E0 4C FF 63 5A 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000025A63FF4CE0, 40 bytes long.
 Data: <&#176;&#233;&#254;cZ   &#176;&#251;&#254;cZ   > B0 E9 FE 63 5A 02 00 00 B0 FB FE 63 5A 02 00 00 
{71} normal block at 0x0000025A63FEF680, 16 bytes long.
 Data: < &#234;&#164;&#197;&#247;           > 80 EA A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025A63FEF0E0, 16 bytes long.
 Data: <@&#233;&#164;&#197;&#247;           > 40 E9 A4 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025A63FEEB40, 16 bytes long.
 Data: <&#248;W&#161;&#197;&#247;           > F8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025A63FEF220, 16 bytes long.
 Data: <&#216;W&#161;&#197;&#247;           > D8 57 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025A63FEE820, 16 bytes long.
 Data: <P &#161;&#197;&#247;           > 50 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025A63FEF4A0, 16 bytes long.
 Data: <0 &#161;&#197;&#247;           > 30 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025A63FEEF00, 16 bytes long.
 Data: <&#224; &#161;&#197;&#247;           > E0 02 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025A63FEF310, 16 bytes long.
 Data: <  &#161;&#197;&#247;           > 10 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025A63FEF130, 16 bytes long.
 Data: <p &#161;&#197;&#247;           > 70 04 A1 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025A63FEEFA0, 16 bytes long.
 Data: < &#192;&#159;&#197;&#247;           > 18 C0 9F C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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