Task 38667562

Name test_517-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6426_0
Workunit 31610173
Created 25 Oct 2026, 8:29:13 UTC
Sent 25 Oct 2026, 8:29:34 UTC
Report deadline 30 Oct 2026, 8:29:34 UTC
Received 25 Oct 2026, 8:59:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 28 min 58 sec
CPU time 27 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.13 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:30:46 (14548): wrapper (7.9.26016): starting
09:30:46 (14548): 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
09:30:47 (14548): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:30:47 (14548): 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
09:58:41 (14548): C:/Windows/system32/cmd.exe exited; CPU time 1655.375000
09:58:41 (14548): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 23710925 bytes.
Dumping objects ->
{3835240} normal block at 0x000002A872005920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002A8720054C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000002A872005760, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000002A872005680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000002A872005370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002A873BD4DC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000002A873BEF260, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x000002A871FFE110, 8 bytes long.
 Data: <  9r&#168;   > 00 00 39 72 A8 02 00 00 
{3834545} normal block at 0x000002A873BEF680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002A871FFE750, 8 bytes long.
 Data: <&#240;L r&#168;   > F0 4C 00 72 A8 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002A8720021E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A871FF6C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002A872005ED0, 16 bytes long.
 Data: < q r&#168;           > 18 71 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A872006600, 16 bytes long.
 Data: <&#240;p r&#168;           > F0 70 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A8720000F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002A872006A60, 16 bytes long.
 Data: <&#200;p r&#168;           > C8 70 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A872006560, 16 bytes long.
 Data: <&#160;p r&#168;           > A0 70 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A872006150, 16 bytes long.
 Data: <xp r&#168;           > 78 70 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A872006830, 16 bytes long.
 Data: <Pp r&#168;           > 50 70 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A8720056F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002A872006510, 16 bytes long.
 Data: <X&#249;&#254;q&#168;           > 58 F9 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002A871FFF7F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002A872005E30, 16 bytes long.
 Data: <0&#249;&#254;q&#168;           > 30 F9 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A872006470, 16 bytes long.
 Data: < &#249;&#254;q&#168;           > 08 F9 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A8720067E0, 16 bytes long.
 Data: <&#224;&#248;&#254;q&#168;           > E0 F8 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A8720061F0, 16 bytes long.
 Data: <&#184;&#248;&#254;q&#168;           > B8 F8 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A872006010, 16 bytes long.
 Data: < &#248;&#254;q&#168;           > 90 F8 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A8720063D0, 16 bytes long.
 Data: <h&#248;&#254;q&#168;           > 68 F8 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A872000270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002A872006920, 16 bytes long.
 Data: <@&#248;&#254;q&#168;           > 40 F8 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A871FEF840, 320 bytes long.
 Data: < i r&#168;   p  r&#168;   > 20 69 00 72 A8 02 00 00 70 02 00 72 A8 02 00 00 
{276} normal block at 0x000002A872006380, 16 bytes long.
 Data: <0p r&#168;           > 30 70 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A872006D80, 16 bytes long.
 Data: < p r&#168;           > 08 70 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A872000630, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002A872006330, 16 bytes long.
 Data: <&#224;o r&#168;           > E0 6F 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A872000030, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002A872005E80, 16 bytes long.
 Data: <(o r&#168;           > 28 6F 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A872006CE0, 16 bytes long.
 Data: < o r&#168;           > 00 6F 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A872006790, 16 bytes long.
 Data: <&#216;n r&#168;           > D8 6E 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A872006B50, 16 bytes long.
 Data: <&#176;n r&#168;           > B0 6E 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A8720065B0, 16 bytes long.
 Data: < n r&#168;           > 88 6E 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A8720068D0, 16 bytes long.
 Data: <`n r&#168;           > 60 6E 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A872006C90, 16 bytes long.
 Data: < V r&#168;           > 10 56 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A872005610, 40 bytes long.
 Data: < l r&#168;   &#192;M&#189;s&#168;   > 90 6C 00 72 A8 02 00 00 C0 4D BD 73 A8 02 00 00 
{262} normal block at 0x000002A872006740, 16 bytes long.
 Data: <@n r&#168;           > 40 6E 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A8720064C0, 16 bytes long.
 Data: < n r&#168;           > 18 6E 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A871FFFC10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002A872006420, 16 bytes long.
 Data: <&#240;m r&#168;           > F0 6D 00 72 A8 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002A872006DF0, 992 bytes long.
 Data: < d r&#168;    &#252;&#255;q&#168;   > 20 64 00 72 A8 02 00 00 10 FC FF 71 A8 02 00 00 
{94} normal block at 0x000002A871FFFBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002A871FFE610, 16 bytes long.
 Data: <&#208;&#244;&#254;q&#168;           > D0 F4 FE 71 A8 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002A871FEF4D0, 40 bytes long.
 Data: < &#230;&#255;q&#168;   &#176;&#251;&#255;q&#168;   > 10 E6 FF 71 A8 02 00 00 B0 FB FF 71 A8 02 00 00 
{71} normal block at 0x000002A871FFE7A0, 16 bytes long.
 Data: < &#234;7G&#246;           > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A871FFDCB0, 16 bytes long.
 Data: <@&#233;7G&#246;           > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A871FFE6B0, 16 bytes long.
 Data: <&#248;W4G&#246;           > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A871FFE2F0, 16 bytes long.
 Data: <&#216;W4G&#246;           > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A871FFE4D0, 16 bytes long.
 Data: <P 4G&#246;           > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A871FFE520, 16 bytes long.
 Data: <0 4G&#246;           > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A871FFE340, 16 bytes long.
 Data: <&#224; 4G&#246;           > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A871FFD990, 16 bytes long.
 Data: <  4G&#246;           > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A871FFE840, 16 bytes long.
 Data: <p 4G&#246;           > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002A871FFDD50, 16 bytes long.
 Data: < &#192;2G&#246;           > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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