Task 38696326

Name test_315-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1888_0
Workunit 31636963
Created 31 Oct 2026, 22:09:36 UTC
Sent 31 Oct 2026, 22:09:38 UTC
Report deadline 5 Nov 2026, 22:09:38 UTC
Received 31 Oct 2026, 22:36:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 479449
Run time 27 min 14 sec
CPU time 9 hours 4 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,331.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.10 MB
Peak swap size 8.52 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:10:55 (16116): wrapper (7.9.26016): starting
18:10:55 (16116): 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
18:10:56 (16116): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:10:56 (16116): 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\21\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\21\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
18:36:23 (16116): C:/Windows/system32/cmd.exe exited; CPU time 46559.187500
18:36:23 (16116): 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: 39379685 bytes.
Dumping objects ->
{3835504} normal block at 0x00000267ACF19EF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835493} normal block at 0x00000267ACF19780, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835482} normal block at 0x00000267ACF199B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835471} normal block at 0x00000267ACF19FD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x00000267ACF19B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835429} normal block at 0x00000267ACE7EEF0, 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) : {3835416} normal block at 0x00000267AB09E040, 8 bytes long.
 Data: <  p&#171;g   > 00 00 70 AB 67 02 00 00 
{3833967} normal block at 0x00000267AB09E9A0, 8 bytes long.
 Data: <@a&#242;&#172;g   > 40 61 F2 AC 67 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000267AB0A24C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000267AB097910, 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 0x00000267AB0A6D80, 16 bytes long.
 Data: <&#168;j &#171;g           > A8 6A 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000267AB0A7140, 16 bytes long.
 Data: < j &#171;g           > 80 6A 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000267AB0A0C10, 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 0x00000267AB0A77D0, 16 bytes long.
 Data: <Xj &#171;g           > 58 6A 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000267AB0A6D30, 16 bytes long.
 Data: <0j &#171;g           > 30 6A 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000267AB0A7640, 16 bytes long.
 Data: < j &#171;g           > 08 6A 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000267AB0A6EC0, 16 bytes long.
 Data: <&#224;i &#171;g           > E0 69 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000267AB0A50D0, 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 0x00000267AB0A70A0, 16 bytes long.
 Data: < &#252; &#171;g           > 88 FC 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000267AB0A1150, 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 0x00000267AB0A7780, 16 bytes long.
 Data: <`&#252; &#171;g           > 60 FC 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000267AB0A6CE0, 16 bytes long.
 Data: <8&#252; &#171;g           > 38 FC 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000267AB0A7050, 16 bytes long.
 Data: < &#252; &#171;g           > 10 FC 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000267AB0A7820, 16 bytes long.
 Data: <&#232;&#251; &#171;g           > E8 FB 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000267AB0A6C40, 16 bytes long.
 Data: <&#192;&#251; &#171;g           > C0 FB 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000267AB0A7730, 16 bytes long.
 Data: < &#251; &#171;g           > 98 FB 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000267AB0A0F70, 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 0x00000267AB0A6BF0, 16 bytes long.
 Data: <p&#251; &#171;g           > 70 FB 08 AB 67 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000267AB08FB70, 320 bytes long.
 Data: <&#240;k &#171;g   p  &#171;g   > F0 6B 0A AB 67 02 00 00 70 0F 0A AB 67 02 00 00 
{279} normal block at 0x00000267AB0A70F0, 16 bytes long.
 Data: <&#192;i &#171;g           > C0 69 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000267AB0A6DD0, 16 bytes long.
 Data: < i &#171;g           > 98 69 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000267AB0A1750, 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 0x00000267AB0A76E0, 16 bytes long.
 Data: <pi &#171;g           > 70 69 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000267AB0A1570, 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 0x00000267AB0A78C0, 16 bytes long.
 Data: <&#184;h &#171;g           > B8 68 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000267AB0A75A0, 16 bytes long.
 Data: < h &#171;g           > 90 68 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000267AB0A6E70, 16 bytes long.
 Data: <hh &#171;g           > 68 68 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000267AB0A7690, 16 bytes long.
 Data: <@h &#171;g           > 40 68 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000267AB0A7AA0, 16 bytes long.
 Data: < h &#171;g           > 18 68 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000267AB09EEA0, 16 bytes long.
 Data: <&#240;g &#171;g           > F0 67 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000267AB09EDB0, 16 bytes long.
 Data: <0N &#171;g           > 30 4E 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000267AB0A4E30, 40 bytes long.
 Data: <&#176;&#237;	&#171;g   &#240;&#238;&#231;&#172;g   > B0 ED 09 AB 67 02 00 00 F0 EE E7 AC 67 02 00 00 
{265} normal block at 0x00000267AB09EB30, 16 bytes long.
 Data: <&#208;g &#171;g           > D0 67 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000267AB09E4A0, 16 bytes long.
 Data: <&#168;g &#171;g           > A8 67 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000267AB0A0FD0, 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 0x00000267AB09E900, 16 bytes long.
 Data: < g &#171;g           > 80 67 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000267AB0A6780, 992 bytes long.
 Data: < &#233;	&#171;g   &#208;  &#171;g   > 00 E9 09 AB 67 02 00 00 D0 0F 0A AB 67 02 00 00 
{97} normal block at 0x00000267AB0A0C70, 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 0x00000267AB09E3B0, 16 bytes long.
 Data: <&#208;I &#171;g           > D0 49 0A AB 67 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000267AB0A49D0, 40 bytes long.
 Data: <&#176;&#227;	&#171;g   p  &#171;g   > B0 E3 09 AB 67 02 00 00 70 0C 0A AB 67 02 00 00 
{74} normal block at 0x00000267AB09E130, 16 bytes long.
 Data: < &#234;B&#235;&#247;           > 80 EA 42 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000267AB09E630, 16 bytes long.
 Data: <@&#233;B&#235;&#247;           > 40 E9 42 EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000267AB09E090, 16 bytes long.
 Data: <&#248;W?&#235;&#247;           > F8 57 3F EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000267AB09E950, 16 bytes long.
 Data: <&#216;W?&#235;&#247;           > D8 57 3F EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000267AB09E1D0, 16 bytes long.
 Data: <P ?&#235;&#247;           > 50 04 3F EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000267AB09E400, 16 bytes long.
 Data: <0 ?&#235;&#247;           > 30 04 3F EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000267AB09DF50, 16 bytes long.
 Data: <&#224; ?&#235;&#247;           > E0 02 3F EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000267AB09E8B0, 16 bytes long.
 Data: <  ?&#235;&#247;           > 10 04 3F EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000267AB09EC70, 16 bytes long.
 Data: <p ?&#235;&#247;           > 70 04 3F EB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000267AB09EE50, 16 bytes long.
 Data: < &#192;=&#235;&#247;           > 18 C0 3D EB F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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