Task 38664296

Name test_102-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2467_0
Workunit 31607461
Created 24 Oct 2026, 23:27:01 UTC
Sent 24 Oct 2026, 23:27:09 UTC
Report deadline 29 Oct 2026, 23:27:09 UTC
Received 25 Oct 2026, 12:02:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 10 hours 46 min
CPU time 10 hours 46 min
Validate state Valid
Credit 600,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.12 MB
Peak swap size 5.36 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:37:12 (56572): wrapper (7.9.26016): starting
18:37:12 (56572): 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
18:37:13 (56572): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:37:13 (56572): 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\6\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\6\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
06:01:42 (56572): C:/Windows/system32/cmd.exe exited; CPU time 38760.734375
06:01:42 (56572): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 879452229 bytes.
Dumping objects ->
{3835232} normal block at 0x000002EDAC24D540, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000002EDAA564CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x000002EDAA565000, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x000002EDAA564F90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x000002EDAA564900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x000002EDAC29A420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x000002EDAA5CAA70, 140 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) : {3835143} normal block at 0x000002EDAA55F190, 8 bytes long.
 Data: <  &#158;&#170;&#237;   > 00 00 9E AA ED 02 00 00 
{3834543} normal block at 0x000002EDAA5CA320, 140 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 0x000002EDAA55F280, 8 bytes long.
 Data: <`J2&#172;&#237;   > 60 4A 32 AC ED 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002EDAA560EE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002EDAA556930, 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 0x000002EDAA566280, 16 bytes long.
 Data: <&#248;gV&#170;&#237;           > F8 67 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002EDAA565510, 16 bytes long.
 Data: <&#208;gV&#170;&#237;           > D0 67 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002EDAA560810, 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 0x000002EDAA565970, 16 bytes long.
 Data: <&#168;gV&#170;&#237;           > A8 67 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002EDAA5659C0, 16 bytes long.
 Data: < gV&#170;&#237;           > 80 67 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002EDAA565EC0, 16 bytes long.
 Data: <XgV&#170;&#237;           > 58 67 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002EDAA5660A0, 16 bytes long.
 Data: <0gV&#170;&#237;           > 30 67 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002EDAA564C80, 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 0x000002EDAA5657E0, 16 bytes long.
 Data: <&#200;&#231;U&#170;&#237;           > C8 E7 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002EDAA55FA90, 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 0x000002EDAA566230, 16 bytes long.
 Data: <&#160;&#231;U&#170;&#237;           > A0 E7 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002EDAA5661E0, 16 bytes long.
 Data: <x&#231;U&#170;&#237;           > 78 E7 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002EDAA565740, 16 bytes long.
 Data: <P&#231;U&#170;&#237;           > 50 E7 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002EDAA5656F0, 16 bytes long.
 Data: <(&#231;U&#170;&#237;           > 28 E7 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002EDAA566460, 16 bytes long.
 Data: < &#231;U&#170;&#237;           > 00 E7 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002EDAA566370, 16 bytes long.
 Data: <&#216;&#230;U&#170;&#237;           > D8 E6 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002EDAA560630, 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 0x000002EDAA566410, 16 bytes long.
 Data: <&#176;&#230;U&#170;&#237;           > B0 E6 55 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002EDAA55E6B0, 320 bytes long.
 Data: < dV&#170;&#237;   0 V&#170;&#237;   > 10 64 56 AA ED 02 00 00 30 06 56 AA ED 02 00 00 
{276} normal block at 0x000002EDAA566320, 16 bytes long.
 Data: < gV&#170;&#237;           > 10 67 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002EDAA5660F0, 16 bytes long.
 Data: <&#232;fV&#170;&#237;           > E8 66 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002EDAA560150, 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 0x000002EDAA566050, 16 bytes long.
 Data: <&#192;fV&#170;&#237;           > C0 66 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002EDAA5602D0, 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 0x000002EDAA566000, 16 bytes long.
 Data: < fV&#170;&#237;           > 08 66 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002EDAA566140, 16 bytes long.
 Data: <&#224;eV&#170;&#237;           > E0 65 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002EDAA565D30, 16 bytes long.
 Data: <&#184;eV&#170;&#237;           > B8 65 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002EDAA565830, 16 bytes long.
 Data: < eV&#170;&#237;           > 90 65 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002EDAA565E70, 16 bytes long.
 Data: <heV&#170;&#237;           > 68 65 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002EDAA5658D0, 16 bytes long.
 Data: <@eV&#170;&#237;           > 40 65 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002EDAA565CE0, 16 bytes long.
 Data: < LV&#170;&#237;           > 10 4C 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002EDAA564C10, 40 bytes long.
 Data: <&#224;\V&#170;&#237;    &#164;)&#172;&#237;   > E0 5C 56 AA ED 02 00 00 20 A4 29 AC ED 02 00 00 
{262} normal block at 0x000002EDAA565DD0, 16 bytes long.
 Data: < eV&#170;&#237;           > 20 65 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002EDAA565C90, 16 bytes long.
 Data: <&#248;dV&#170;&#237;           > F8 64 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002EDAA5607B0, 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 0x000002EDAA565C40, 16 bytes long.
 Data: <&#208;dV&#170;&#237;           > D0 64 56 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002EDAA5664D0, 992 bytes long.
 Data: <@\V&#170;&#237;   &#176; V&#170;&#237;   > 40 5C 56 AA ED 02 00 00 B0 07 56 AA ED 02 00 00 
{94} normal block at 0x000002EDAA560510, 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 0x000002EDAA55F5A0, 16 bytes long.
 Data: <&#192;&#230;T&#170;&#237;           > C0 E6 54 AA ED 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002EDAA54E6C0, 40 bytes long.
 Data: <&#160;&#245;U&#170;&#237;     V&#170;&#237;   > A0 F5 55 AA ED 02 00 00 10 05 56 AA ED 02 00 00 
{71} normal block at 0x000002EDAA55F820, 16 bytes long.
 Data: < &#234;&#253;&#180;&#246;           > 80 EA FD B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002EDAA55F7D0, 16 bytes long.
 Data: <@&#233;&#253;&#180;&#246;           > 40 E9 FD B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002EDAA55EE20, 16 bytes long.
 Data: <&#248;W&#250;&#180;&#246;           > F8 57 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002EDAA55EE70, 16 bytes long.
 Data: <&#216;W&#250;&#180;&#246;           > D8 57 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002EDAA55F320, 16 bytes long.
 Data: <P &#250;&#180;&#246;           > 50 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002EDAA55F550, 16 bytes long.
 Data: <0 &#250;&#180;&#246;           > 30 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002EDAA55F140, 16 bytes long.
 Data: <&#224; &#250;&#180;&#246;           > E0 02 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002EDAA55EC90, 16 bytes long.
 Data: <  &#250;&#180;&#246;           > 10 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002EDAA55EAB0, 16 bytes long.
 Data: <p &#250;&#180;&#246;           > 70 04 FA B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002EDAA55F5F0, 16 bytes long.
 Data: < &#192;&#248;&#180;&#246;           > 18 C0 F8 B4 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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