Task 38673113

Name test_633-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9630_0
Workunit 31615216
Created 26 Oct 2026, 1:31:10 UTC
Sent 26 Oct 2026, 1:31:15 UTC
Report deadline 31 Oct 2026, 1:31:15 UTC
Received 26 Oct 2026, 2:34:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652004
Run time 26 min 33 sec
CPU time 25 min 3 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 739.56 MB
Peak swap size 13.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:08:33 (3824): wrapper (7.9.26016): starting
20:08:33 (3824): 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
20:08:34 (3824): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:08:34 (3824): 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
20:34:04 (3824): C:/Windows/system32/cmd.exe exited; CPU time 1503.812500
20:34:04 (3824): 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: 8698469 bytes.
Dumping objects ->
{3835257} normal block at 0x000001DB8D0647A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835246} normal block at 0x000001DB8D064650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001DB8D064880, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835224} normal block at 0x000001DB8D064C70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835213} normal block at 0x000001DB8D064810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835182} normal block at 0x000001DB8ED266B0, 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) : {3835169} normal block at 0x000001DB8D05EB90, 8 bytes long.
 Data: <    &#219;   > 00 00 00 8D DB 01 00 00 
{3833955} normal block at 0x000001DB8D05EB40, 8 bytes long.
 Data: < &#230;  &#219;   > 20 E6 13 8D DB 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001DB8D0607F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DB8D055D60, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001DB8D065ED0, 16 bytes long.
 Data: < V  &#219;           > 08 56 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DB8D065840, 16 bytes long.
 Data: <&#224;U  &#219;           > E0 55 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DB8D060160, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001DB8D066560, 16 bytes long.
 Data: <&#184;U  &#219;           > B8 55 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DB8D0661A0, 16 bytes long.
 Data: < U  &#219;           > 90 55 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DB8D065D40, 16 bytes long.
 Data: <hU  &#219;           > 68 55 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DB8D066100, 16 bytes long.
 Data: <@U  &#219;           > 40 55 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DB8D064730, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001DB8D065A20, 16 bytes long.
 Data: <H   &#219;           > 48 8F 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DB8D0600A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001DB8D0657F0, 16 bytes long.
 Data: <    &#219;           > 20 8F 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DB8D066600, 16 bytes long.
 Data: <&#248;&#142;  &#219;           > F8 8E 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DB8D066420, 16 bytes long.
 Data: <&#208;&#142;  &#219;           > D0 8E 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DB8D0660B0, 16 bytes long.
 Data: <&#168;&#142;  &#219;           > A8 8E 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DB8D065B10, 16 bytes long.
 Data: < &#142;  &#219;           > 80 8E 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DB8D065930, 16 bytes long.
 Data: <X&#142;  &#219;           > 58 8E 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DB8D05FF80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001DB8D0657A0, 16 bytes long.
 Data: <0&#142;  &#219;           > 30 8E 05 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DB8D058E30, 320 bytes long.
 Data: <&#160;W  &#219;    &#255;  &#219;   > A0 57 06 8D DB 01 00 00 80 FF 05 8D DB 01 00 00 
{273} normal block at 0x000001DB8D065E80, 16 bytes long.
 Data: < U  &#219;           > 20 55 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DB8D066290, 16 bytes long.
 Data: <&#248;T  &#219;           > F8 54 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DB8D05FD40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001DB8D0659D0, 16 bytes long.
 Data: <&#208;T  &#219;           > D0 54 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DB8D05FCE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001DB8D066010, 16 bytes long.
 Data: < T  &#219;           > 18 54 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DB8D065750, 16 bytes long.
 Data: <&#240;S  &#219;           > F0 53 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DB8D0664C0, 16 bytes long.
 Data: <&#200;S  &#219;           > C8 53 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DB8D065F70, 16 bytes long.
 Data: <&#160;S  &#219;           > A0 53 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DB8D065B60, 16 bytes long.
 Data: <xS  &#219;           > 78 53 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DB8D05E960, 16 bytes long.
 Data: <PS  &#219;           > 50 53 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DB8D05EEB0, 16 bytes long.
 Data: <&#240;H  &#219;           > F0 48 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DB8D0648F0, 40 bytes long.
 Data: <&#176;&#238;  &#219;   &#176;f&#210;&#142;&#219;   > B0 EE 05 8D DB 01 00 00 B0 66 D2 8E DB 01 00 00 
{259} normal block at 0x000001DB8D05E730, 16 bytes long.
 Data: <0S  &#219;           > 30 53 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DB8D05E6E0, 16 bytes long.
 Data: < S  &#219;           > 08 53 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001DB8D05FEC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001DB8D05F400, 16 bytes long.
 Data: <&#224;R  &#219;           > E0 52 06 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DB8D0652E0, 992 bytes long.
 Data: < &#244;  &#219;   &#192;&#254;  &#219;   > 00 F4 05 8D DB 01 00 00 C0 FE 05 8D DB 01 00 00 
{91} normal block at 0x000001DB8D060220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001DB8D05E5A0, 16 bytes long.
 Data: < &#234;  &#219;           > 00 EA 04 8D DB 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001DB8D04EA00, 40 bytes long.
 Data: <&#160;&#229;  &#219;       &#219;   > A0 E5 05 8D DB 01 00 00 20 02 06 8D DB 01 00 00 
{68} normal block at 0x000001DB8D05F090, 16 bytes long.
 Data: < &#234; &#133;&#247;           > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DB8D05F3B0, 16 bytes long.
 Data: <@&#233; &#133;&#247;           > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DB8D05EF50, 16 bytes long.
 Data: <&#248;W&#255;&#132;&#247;           > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DB8D05F360, 16 bytes long.
 Data: <&#216;W&#255;&#132;&#247;           > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DB8D05F270, 16 bytes long.
 Data: <P &#255;&#132;&#247;           > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DB8D05E8C0, 16 bytes long.
 Data: <0 &#255;&#132;&#247;           > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DB8D05E820, 16 bytes long.
 Data: <&#224; &#255;&#132;&#247;           > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DB8D05F220, 16 bytes long.
 Data: <  &#255;&#132;&#247;           > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DB8D05F040, 16 bytes long.
 Data: <p &#255;&#132;&#247;           > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DB8D05E9B0, 16 bytes long.
 Data: < &#192;&#253;&#132;&#247;           > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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