Task 38671001

Name test_114-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8775_0
Workunit 31613224
Created 25 Oct 2026, 19:12:21 UTC
Sent 25 Oct 2026, 19:12:25 UTC
Report deadline 30 Oct 2026, 19:12:25 UTC
Received 27 Oct 2026, 2:02:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654840
Run time 2 hours 34 min 51 sec
CPU time 1 hours 40 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,029.85 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.21 MB
Peak swap size 8.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:30:48 (99344): wrapper (7.9.26016): starting
18:30:48 (99344): 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
18:30:51 (99344): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:30:51 (99344): 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
21:02:24 (99344): C:/Windows/system32/cmd.exe exited; CPU time 6030.671875
21:02:24 (99344): 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: 318593371 bytes.
Dumping objects ->
{3835485} normal block at 0x00000275233941E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835474} normal block at 0x0000027523394170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835463} normal block at 0x00000275233942C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835452} normal block at 0x0000027523394020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835441} normal block at 0x0000027523393D10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835410} normal block at 0x00000275256ADFE0, 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) : {3835397} normal block at 0x0000027523389850, 8 bytes long.
 Data: <  4#u   > 00 00 34 23 75 02 00 00 
{3833949} normal block at 0x00000275233893F0, 8 bytes long.
 Data: <P&#201;;#u   > 50 C9 3B 23 75 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000027523385180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002752338EA90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000027523394BC0, 16 bytes long.
 Data: <(W9#u           > 28 57 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027523394FD0, 16 bytes long.
 Data: < W9#u           > 00 57 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002752338F9E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000027523395250, 16 bytes long.
 Data: <&#216;V9#u           > D8 56 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027523394A80, 16 bytes long.
 Data: <&#176;V9#u           > B0 56 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027523394850, 16 bytes long.
 Data: < V9#u           > 88 56 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027523394B70, 16 bytes long.
 Data: <`V9#u           > 60 56 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027523394250, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000027523394F80, 16 bytes long.
 Data: <x&#244;7#u           > 78 F4 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002752338FB60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000027523394F30, 16 bytes long.
 Data: <P&#244;7#u           > 50 F4 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027523395020, 16 bytes long.
 Data: <(&#244;7#u           > 28 F4 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000275233952A0, 16 bytes long.
 Data: < &#244;7#u           > 00 F4 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027523394800, 16 bytes long.
 Data: <&#216;&#243;7#u           > D8 F3 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027523394940, 16 bytes long.
 Data: <&#176;&#243;7#u           > B0 F3 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000275233946C0, 16 bytes long.
 Data: < &#243;7#u           > 88 F3 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002752338FEC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000027523394EE0, 16 bytes long.
 Data: <`&#243;7#u           > 60 F3 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002752337F360, 320 bytes long.
 Data: <&#224;N9#u   &#192;&#254;8#u   > E0 4E 39 23 75 02 00 00 C0 FE 38 23 75 02 00 00 
{270} normal block at 0x0000027523395200, 16 bytes long.
 Data: <@V9#u           > 40 56 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000275233945D0, 16 bytes long.
 Data: < V9#u           > 18 56 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002752338FBC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x00000275233951B0, 16 bytes long.
 Data: <&#240;U9#u           > F0 55 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002752338FE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000027523394C60, 16 bytes long.
 Data: <8U9#u           > 38 55 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027523394E90, 16 bytes long.
 Data: < U9#u           > 10 55 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027523394710, 16 bytes long.
 Data: <&#232;T9#u           > E8 54 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027523394670, 16 bytes long.
 Data: <&#192;T9#u           > C0 54 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027523394A30, 16 bytes long.
 Data: < T9#u           > 98 54 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000027523395110, 16 bytes long.
 Data: <pT9#u           > 70 54 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000275233947B0, 16 bytes long.
 Data: <@?9#u           > 40 3F 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000027523393F40, 40 bytes long.
 Data: <&#176;G9#u   &#224;&#223;j%u   > B0 47 39 23 75 02 00 00 E0 DF 6A 25 75 02 00 00 
{256} normal block at 0x0000027523394AD0, 16 bytes long.
 Data: <PT9#u           > 50 54 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027523394760, 16 bytes long.
 Data: <(T9#u           > 28 54 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002752338FCE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000027523394580, 16 bytes long.
 Data: < T9#u           > 00 54 39 23 75 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000027523395400, 992 bytes long.
 Data: < E9#u   &#224;&#252;8#u   > 80 45 39 23 75 02 00 00 E0 FC 38 23 75 02 00 00 
{88} normal block at 0x000002752338F8C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000027523389170, 16 bytes long.
 Data: < &#216;7#u           > 80 D8 37 23 75 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002752337D880, 40 bytes long.
 Data: <p&#145;8#u   &#192;&#248;8#u   > 70 91 38 23 75 02 00 00 C0 F8 38 23 75 02 00 00 
{65} normal block at 0x0000027523389E40, 16 bytes long.
 Data: < &#234;6S&#247;           > 80 EA 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027523388FE0, 16 bytes long.
 Data: <@&#233;6S&#247;           > 40 E9 36 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027523389080, 16 bytes long.
 Data: <&#248;W3S&#247;           > F8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000275233898F0, 16 bytes long.
 Data: <&#216;W3S&#247;           > D8 57 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027523389A30, 16 bytes long.
 Data: <P 3S&#247;           > 50 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027523389760, 16 bytes long.
 Data: <0 3S&#247;           > 30 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027523389990, 16 bytes long.
 Data: <&#224; 3S&#247;           > E0 02 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000275233896C0, 16 bytes long.
 Data: <  3S&#247;           > 10 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027523389350, 16 bytes long.
 Data: <p 3S&#247;           > 70 04 33 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000027523389C60, 16 bytes long.
 Data: < &#192;1S&#247;           > 18 C0 31 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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