Task 38685072

Name test_869-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4179_0
Workunit 31626559
Created 27 Oct 2026, 19:14:16 UTC
Sent 27 Oct 2026, 19:14:23 UTC
Report deadline 1 Nov 2026, 19:14:23 UTC
Received 27 Oct 2026, 19:51:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649517
Run time 36 min 20 sec
CPU time 33 min 13 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 721.85 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>
20:15:39 (61360): wrapper (7.9.26016): starting
20:15:39 (61360): 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
20:15:40 (61360): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:15:40 (61360): 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
20:50:54 (61360): C:/Windows/system32/cmd.exe exited; CPU time 1993.109375
20:50:54 (61360): 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: 63592395 bytes.
Dumping objects ->
{3835228} normal block at 0x0000027072D0E2F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000027072D0E670, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000027072D0E600, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835195} normal block at 0x0000027072D0DDB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x0000027072D0E360, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835153} normal block at 0x0000027072D0B410, 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) : {3835140} normal block at 0x0000027070ED09E0, 8 bytes long.
 Data: <  &#230;pp   > 00 00 E6 70 70 02 00 00 
{3833987} normal block at 0x0000027070ED0530, 8 bytes long.
 Data: < &#242;&#235;pp   > 00 F2 EB 70 70 02 00 00 
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000027070EC8620, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000027070EC9DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{309} normal block at 0x0000027070ED8B90, 16 bytes long.
 Data: <H&#151;&#237;pp           > 48 97 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x0000027070ED8B40, 16 bytes long.
 Data: < &#151;&#237;pp           > 20 97 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000027070ED2260, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{306} normal block at 0x0000027070ED8AF0, 16 bytes long.
 Data: <&#248;&#150;&#237;pp           > F8 96 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000027070ED8AA0, 16 bytes long.
 Data: <&#208;&#150;&#237;pp           > D0 96 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000027070ED8A50, 16 bytes long.
 Data: <&#168;&#150;&#237;pp           > A8 96 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000027070ED8A00, 16 bytes long.
 Data: < &#150;&#237;pp           > 80 96 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000027070ED66C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{301} normal block at 0x0000027070ED9130, 16 bytes long.
 Data: <&#216; &#236;pp           > D8 14 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000027070ED1F60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{299} normal block at 0x0000027070ED8CD0, 16 bytes long.
 Data: <&#176; &#236;pp           > B0 14 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000027070ED8960, 16 bytes long.
 Data: <  &#236;pp           > 88 14 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000027070ED8910, 16 bytes long.
 Data: <` &#236;pp           > 60 14 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000027070ED87D0, 16 bytes long.
 Data: <8 &#236;pp           > 38 14 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000027070ED8E60, 16 bytes long.
 Data: <  &#236;pp           > 10 14 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000027070ED8E10, 16 bytes long.
 Data: <&#232; &#236;pp           > E8 13 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027070ED1E40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{291} normal block at 0x0000027070ED89B0, 16 bytes long.
 Data: <&#192; &#236;pp           > C0 13 EC 70 70 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027070EC13C0, 320 bytes long.
 Data: <&#176;&#137;&#237;pp   @ &#237;pp   > B0 89 ED 70 70 02 00 00 40 1E ED 70 70 02 00 00 
{289} normal block at 0x0000027070ED8690, 16 bytes long.
 Data: <`&#150;&#237;pp           > 60 96 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000027070ED8820, 16 bytes long.
 Data: <8&#150;&#237;pp           > 38 96 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027070ED1720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{286} normal block at 0x0000027070ED8500, 16 bytes long.
 Data: < &#150;&#237;pp           > 10 96 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027070ED1960, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{284} normal block at 0x0000027070ED8460, 16 bytes long.
 Data: <X&#149;&#237;pp           > 58 95 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000027070ED8550, 16 bytes long.
 Data: <0&#149;&#237;pp           > 30 95 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027070ED85A0, 16 bytes long.
 Data: < &#149;&#237;pp           > 08 95 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000027070ED9360, 16 bytes long.
 Data: <&#224;&#148;&#237;pp           > E0 94 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000027070ED84B0, 16 bytes long.
 Data: <&#184;&#148;&#237;pp           > B8 94 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027070ED8640, 16 bytes long.
 Data: < &#148;&#237;pp           > 90 94 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027070ED85F0, 16 bytes long.
 Data: <&#240;h&#237;pp           > F0 68 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027070ED68F0, 40 bytes long.
 Data: <&#240;&#133;&#237;pp    &#180;&#208;rp   > F0 85 ED 70 70 02 00 00 10 B4 D0 72 70 02 00 00 
{275} normal block at 0x0000027070ED8EB0, 16 bytes long.
 Data: <p&#148;&#237;pp           > 70 94 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027070ED86E0, 16 bytes long.
 Data: <H&#148;&#237;pp           > 48 94 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000027070ED1600, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{272} normal block at 0x0000027070ED9310, 16 bytes long.
 Data: < &#148;&#237;pp           > 20 94 ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000027070ED9420, 992 bytes long.
 Data: < &#147;&#237;pp     &#237;pp   > 10 93 ED 70 70 02 00 00 00 16 ED 70 70 02 00 00 
{107} normal block at 0x0000027070ED18A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{106} normal block at 0x0000027070ED10C0, 16 bytes long.
 Data: < k&#237;pp           > 20 6B ED 70 70 02 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x0000027070ED6B20, 40 bytes long.
 Data: <&#192; &#237;pp   &#160; &#237;pp   > C0 10 ED 70 70 02 00 00 A0 18 ED 70 70 02 00 00 
{84} normal block at 0x0000027070ED0FD0, 16 bytes long.
 Data: < &#234;&#221;&#211;&#246;           > 80 EA DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000027070ED1480, 16 bytes long.
 Data: <@&#233;&#221;&#211;&#246;           > 40 E9 DD D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000027070ED11B0, 16 bytes long.
 Data: <&#248;W&#218;&#211;&#246;           > F8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000027070ED1160, 16 bytes long.
 Data: <&#216;W&#218;&#211;&#246;           > D8 57 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000027070ED0760, 16 bytes long.
 Data: <P &#218;&#211;&#246;           > 50 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000027070ED05D0, 16 bytes long.
 Data: <0 &#218;&#211;&#246;           > 30 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000027070ED0B20, 16 bytes long.
 Data: <&#224; &#218;&#211;&#246;           > E0 02 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000027070ED1200, 16 bytes long.
 Data: <  &#218;&#211;&#246;           > 10 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000027070ED0710, 16 bytes long.
 Data: <p &#218;&#211;&#246;           > 70 04 DA D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000027070ED0F80, 16 bytes long.
 Data: < &#192;&#216;&#211;&#246;           > 18 C0 D8 D3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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