Task 38665246

Name test_538-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND6896_0
Workunit 31608358
Created 25 Oct 2026, 0:54:41 UTC
Sent 25 Oct 2026, 1:01:27 UTC
Report deadline 30 Oct 2026, 1:01:27 UTC
Received 25 Oct 2026, 7:10:55 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 332854
Run time 5 hours 23 min 48 sec
CPU time 5 hours 9 min 51 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.99 MB
Peak swap size 2.36 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:41:22 (20792): wrapper (7.9.26016): starting
22:41:22 (20792): 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
22:41:24 (20792): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:41:24 (20792): 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\5\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\5\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
04:10:34 (20792): C:/Windows/system32/cmd.exe exited; CPU time 18591.328125
04:10:34 (20792): 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: 380423045 bytes.
Dumping objects ->
{3835203} normal block at 0x0000021657F513A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835192} normal block at 0x0000021657F51330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x0000021657F50B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835170} normal block at 0x0000021657F50D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000021657F50A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835128} normal block at 0x0000021657FFFFF0, 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) : {3835115} normal block at 0x00000216564DC020, 8 bytes long.
 Data: <  IV    > 00 00 49 56 16 02 00 00 
{3833949} normal block at 0x00000216564DB8A0, 8 bytes long.
 Data: <&#224;&#238;LV    > E0 EE 4C 56 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000216564E1490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000216564CF680, 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 0x00000216564E69C0, 16 bytes long.
 Data: < vNV            > 08 76 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000216564E6BA0, 16 bytes long.
 Data: <&#224;uNV            > E0 75 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000216564E23F0, 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 0x00000216564E6970, 16 bytes long.
 Data: <&#184;uNV            > B8 75 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000216564E5F20, 16 bytes long.
 Data: < uNV            > 90 75 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000216564E6600, 16 bytes long.
 Data: <huNV            > 68 75 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000216564E6E20, 16 bytes long.
 Data: <@uNV            > 40 75 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000216564E16B0, 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 0x00000216564E68D0, 16 bytes long.
 Data: < &#236;LV            > 08 EC 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000216564E2750, 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 0x00000216564E61F0, 16 bytes long.
 Data: <&#224;&#235;LV            > E0 EB 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000216564E65B0, 16 bytes long.
 Data: <&#184;&#235;LV            > B8 EB 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000216564E63D0, 16 bytes long.
 Data: < &#235;LV            > 90 EB 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000216564E61A0, 16 bytes long.
 Data: <h&#235;LV            > 68 EB 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000216564E6150, 16 bytes long.
 Data: <@&#235;LV            > 40 EB 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000216564E6880, 16 bytes long.
 Data: < &#235;LV            > 18 EB 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000216564E28D0, 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 0x00000216564E6BF0, 16 bytes long.
 Data: <&#240;&#234;LV            > F0 EA 4C 56 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000216564CEAF0, 320 bytes long.
 Data: <&#240;kNV    &#208;(NV    > F0 6B 4E 56 16 02 00 00 D0 28 4E 56 16 02 00 00 
{270} normal block at 0x00000216564E64C0, 16 bytes long.
 Data: < uNV            > 20 75 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000216564E6830, 16 bytes long.
 Data: <&#248;tNV            > F8 74 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000216564E26F0, 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 0x00000216564E6790, 16 bytes long.
 Data: <&#208;tNV            > D0 74 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000216564E21B0, 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 0x00000216564E5FC0, 16 bytes long.
 Data: < tNV            > 18 74 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000216564E66F0, 16 bytes long.
 Data: <&#240;sNV            > F0 73 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000216564E6D30, 16 bytes long.
 Data: <&#200;sNV            > C8 73 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000216564E60B0, 16 bytes long.
 Data: <&#160;sNV            > A0 73 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000216564E6920, 16 bytes long.
 Data: <xsNV            > 78 73 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000216564E6560, 16 bytes long.
 Data: <PsNV            > 50 73 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000216564E6380, 16 bytes long.
 Data: <&#240; NV            > F0 1B 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000216564E1BF0, 40 bytes long.
 Data: < cNV    &#240;&#255;&#255;W    > 80 63 4E 56 16 02 00 00 F0 FF FF 57 16 02 00 00 
{256} normal block at 0x00000216564E6740, 16 bytes long.
 Data: <0sNV            > 30 73 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000216564E62E0, 16 bytes long.
 Data: < sNV            > 08 73 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000216564E2810, 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 0x00000216564E6650, 16 bytes long.
 Data: <&#224;rNV            > E0 72 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000216564E72E0, 992 bytes long.
 Data: <PfNV     (NV    > 50 66 4E 56 16 02 00 00 10 28 4E 56 16 02 00 00 
{88} normal block at 0x00000216564E2690, 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 0x00000216564DBA80, 16 bytes long.
 Data: <  NV            > 10 1B 4E 56 16 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000216564E1B10, 40 bytes long.
 Data: < &#186;MV     &NV    > 80 BA 4D 56 16 02 00 00 90 26 4E 56 16 02 00 00 
{65} normal block at 0x00000216564DBE40, 16 bytes long.
 Data: < &#234;&#146;&#145;&#247;           > 80 EA 92 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000216564DC340, 16 bytes long.
 Data: <@&#233;&#146;&#145;&#247;           > 40 E9 92 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000216564DB990, 16 bytes long.
 Data: <&#248;W &#145;&#247;           > F8 57 8F 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000216564DC1B0, 16 bytes long.
 Data: <&#216;W &#145;&#247;           > D8 57 8F 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000216564DBDF0, 16 bytes long.
 Data: <P  &#145;&#247;           > 50 04 8F 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000216564DBE90, 16 bytes long.
 Data: <0  &#145;&#247;           > 30 04 8F 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000216564DBDA0, 16 bytes long.
 Data: <&#224;  &#145;&#247;           > E0 02 8F 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000216564DBD50, 16 bytes long.
 Data: <   &#145;&#247;           > 10 04 8F 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000216564DB800, 16 bytes long.
 Data: <p  &#145;&#247;           > 70 04 8F 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000216564DC2F0, 16 bytes long.
 Data: < &#192; &#145;&#247;           > 18 C0 8D 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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