Task 38662296

Name test_665-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND8929_1
Workunit 31605002
Created 24 Oct 2026, 18:35:44 UTC
Sent 24 Oct 2026, 18:37:07 UTC
Report deadline 29 Oct 2026, 18:37:07 UTC
Received 24 Oct 2026, 19:32:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 32 min 11 sec
CPU time 32 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,956.20 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.91 MB
Peak swap size 9.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
20:38:24 (55404): wrapper (7.9.26016): starting
20:38:24 (55404): 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
20:38:26 (55404): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:38:26 (55404): 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
21:12:09 (55404): C:/Windows/system32/cmd.exe exited; CPU time 1931.343750
21:12:09 (55404): 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: 51345173 bytes.
Dumping objects ->
{3835230} normal block at 0x000001C96EA76810, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x000001C96EA77220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001C96EA77300, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835197} normal block at 0x000001C96EA77290, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001C96EA76F10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835155} normal block at 0x000001C96CDEBBA0, 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) : {3835142} normal block at 0x000001C96CDC1460, 8 bytes long.
 Data: <  &#211;l&#201;   > 00 00 D3 6C C9 01 00 00 
{3833989} normal block at 0x000001C96CDC0650, 8 bytes long.
 Data: <@&#235;&#159;n&#201;   > 40 EB 9F 6E C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001C96CDB9140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001C96CDB1390, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x000001C96CDC89E0, 16 bytes long.
 Data: <&#216;&#150;&#220;l&#201;           > D8 96 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001C96CDC8E40, 16 bytes long.
 Data: <&#176;&#150;&#220;l&#201;           > B0 96 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x000001C96CDC1E50, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x000001C96CDC8760, 16 bytes long.
 Data: < &#150;&#220;l&#201;           > 88 96 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001C96CDC90C0, 16 bytes long.
 Data: <`&#150;&#220;l&#201;           > 60 96 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001C96CDC8580, 16 bytes long.
 Data: <8&#150;&#220;l&#201;           > 38 96 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001C96CDC8710, 16 bytes long.
 Data: < &#150;&#220;l&#201;           > 10 96 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001C96CDC6880, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x000001C96CDC8C60, 16 bytes long.
 Data: < $&#219;l&#201;           > 88 24 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001C96CDC20F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x000001C96CDC9250, 16 bytes long.
 Data: <`$&#219;l&#201;           > 60 24 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C96CDC8AD0, 16 bytes long.
 Data: <8$&#219;l&#201;           > 38 24 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C96CDC9070, 16 bytes long.
 Data: < $&#219;l&#201;           > 10 24 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C96CDC8440, 16 bytes long.
 Data: <&#232;#&#219;l&#201;           > E8 23 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C96CDC92F0, 16 bytes long.
 Data: <&#192;#&#219;l&#201;           > C0 23 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C96CDC86C0, 16 bytes long.
 Data: < #&#219;l&#201;           > 98 23 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C96CDC23F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x000001C96CDC83F0, 16 bytes long.
 Data: <p#&#219;l&#201;           > 70 23 DB 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C96CDB2370, 320 bytes long.
 Data: <&#240;&#131;&#220;l&#201;   &#240;#&#220;l&#201;   > F0 83 DC 6C C9 01 00 00 F0 23 DC 6C C9 01 00 00 
{290} normal block at 0x000001C96CDC8DA0, 16 bytes long.
 Data: <&#240;&#149;&#220;l&#201;           > F0 95 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C96CDC8670, 16 bytes long.
 Data: <&#200;&#149;&#220;l&#201;           > C8 95 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C96CDC1D30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x000001C96CDC8FD0, 16 bytes long.
 Data: <&#160;&#149;&#220;l&#201;           > A0 95 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C96CDC1910, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x000001C96CDC9020, 16 bytes long.
 Data: <&#232;&#148;&#220;l&#201;           > E8 94 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C96CDC8990, 16 bytes long.
 Data: <&#192;&#148;&#220;l&#201;           > C0 94 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C96CDC9160, 16 bytes long.
 Data: < &#148;&#220;l&#201;           > 98 94 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C96CDC9110, 16 bytes long.
 Data: <p&#148;&#220;l&#201;           > 70 94 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C96CDC8F80, 16 bytes long.
 Data: <H&#148;&#220;l&#201;           > 48 94 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C96CDC8490, 16 bytes long.
 Data: < &#148;&#220;l&#201;           > 20 94 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C96CDC8B20, 16 bytes long.
 Data: <`i&#220;l&#201;           > 60 69 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C96CDC6960, 40 bytes long.
 Data: < &#139;&#220;l&#201;   &#160;&#187;&#222;l&#201;   > 20 8B DC 6C C9 01 00 00 A0 BB DE 6C C9 01 00 00 
{276} normal block at 0x000001C96CDC92A0, 16 bytes long.
 Data: < &#148;&#220;l&#201;           > 00 94 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C96CDC88A0, 16 bytes long.
 Data: <&#216;&#147;&#220;l&#201;           > D8 93 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C96CDC22D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x000001C96CDC8620, 16 bytes long.
 Data: <&#176;&#147;&#220;l&#201;           > B0 93 DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C96CDC93B0, 992 bytes long.
 Data: < &#134;&#220;l&#201;   &#208;"&#220;l&#201;   > 20 86 DC 6C C9 01 00 00 D0 22 DC 6C C9 01 00 00 
{108} normal block at 0x000001C96CDC1C70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001C96CDC0E70, 16 bytes long.
 Data: < k&#220;l&#201;           > 20 6B DC 6C C9 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001C96CDC6B20, 40 bytes long.
 Data: <p &#220;l&#201;   p &#220;l&#201;   > 70 0E DC 6C C9 01 00 00 70 1C DC 6C C9 01 00 00 
{85} normal block at 0x000001C96CDC0EC0, 16 bytes long.
 Data: < &#234; q&#246;           > 80 EA 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001C96CDC0740, 16 bytes long.
 Data: <@&#233; q&#246;           > 40 E9 1D 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001C96CDC11E0, 16 bytes long.
 Data: <&#248;W q&#246;           > F8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001C96CDC0DD0, 16 bytes long.
 Data: <&#216;W q&#246;           > D8 57 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001C96CDC0A60, 16 bytes long.
 Data: <P  q&#246;           > 50 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001C96CDC0BA0, 16 bytes long.
 Data: <0  q&#246;           > 30 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001C96CDC09C0, 16 bytes long.
 Data: <&#224;  q&#246;           > E0 02 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001C96CDC1410, 16 bytes long.
 Data: <   q&#246;           > 10 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001C96CDC0830, 16 bytes long.
 Data: <p  q&#246;           > 70 04 1A 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001C96CDC1550, 16 bytes long.
 Data: < &#192; q&#246;           > 18 C0 18 71 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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