Task 38669413

Name test_850-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND0323_0
Workunit 31611765
Created 25 Oct 2026, 14:31:23 UTC
Sent 25 Oct 2026, 14:31:26 UTC
Report deadline 30 Oct 2026, 14:31:26 UTC
Received 25 Oct 2026, 15:19:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625666
Run time 34 min 48 sec
CPU time 32 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,200.74 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.62 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:45:34 (27168): wrapper (7.9.26016): starting
09:45:34 (27168): 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
09:45:35 (27168): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:45:35 (27168): 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 'G:\BOINC\DATA\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 'G:\BOINC\DATA\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
10:18:23 (27168): C:/Windows/system32/cmd.exe exited; CPU time 1939.125000
10:18:23 (27168): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 36099466 bytes.
Dumping objects ->
{3835291} normal block at 0x00000149E7EE0A00, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835280} normal block at 0x00000149E8025830, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835269} normal block at 0x00000149E8025B30, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835258} normal block at 0x00000149E8025A10, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835247} normal block at 0x00000149E8025A70, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835216} normal block at 0x00000149E7EE15D0, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835205} normal block at 0x00000149E7FEBBA0, 85 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) : {3835202} normal block at 0x00000149E64F8140, 8 bytes long.
 Data: <  H&#230;I   > 00 00 48 E6 49 01 00 00 
{3834574} normal block at 0x00000149E7FEBEC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000149E64F80A0, 8 bytes long.
 Data: <&#192;$ &#232;I   > C0 24 03 E8 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000149E65019A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000149E64ED730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000149E6502D00, 16 bytes long.
 Data: <&#168;NP&#230;I           > A8 4E 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000149E6503700, 16 bytes long.
 Data: < NP&#230;I           > 80 4E 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000149E64FCAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000149E6502D50, 16 bytes long.
 Data: <XNP&#230;I           > 58 4E 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000149E65036B0, 16 bytes long.
 Data: <0NP&#230;I           > 30 4E 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000149E6502C10, 16 bytes long.
 Data: < NP&#230;I           > 08 4E 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000149E6503660, 16 bytes long.
 Data: <&#224;MP&#230;I           > E0 4D 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000149E64FEBC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000149E65035C0, 16 bytes long.
 Data: <h`N&#230;I           > 68 60 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000149E64FCD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000149E6503480, 16 bytes long.
 Data: <@`N&#230;I           > 40 60 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000149E6502E40, 16 bytes long.
 Data: < `N&#230;I           > 18 60 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000149E6502DF0, 16 bytes long.
 Data: <&#240;_N&#230;I           > F0 5F 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000149E6503430, 16 bytes long.
 Data: <&#200;_N&#230;I           > C8 5F 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000149E6503610, 16 bytes long.
 Data: <&#160;_N&#230;I           > A0 5F 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000149E65029E0, 16 bytes long.
 Data: <x_N&#230;I           > 78 5F 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000149E64FCCF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000149E65031B0, 16 bytes long.
 Data: <P_N&#230;I           > 50 5F 4E E6 49 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000149E64E5F50, 320 bytes long.
 Data: <&#176;1P&#230;I   &#240;&#204;O&#230;I   > B0 31 50 E6 49 01 00 00 F0 CC 4F E6 49 01 00 00 
{278} normal block at 0x00000149E6503110, 16 bytes long.
 Data: <&#192;MP&#230;I           > C0 4D 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000149E6502BC0, 16 bytes long.
 Data: < MP&#230;I           > 98 4D 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000149E64FCC30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000149E65034D0, 16 bytes long.
 Data: <pMP&#230;I           > 70 4D 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000149E64FCBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000149E65032F0, 16 bytes long.
 Data: <&#184;LP&#230;I           > B8 4C 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000149E6503520, 16 bytes long.
 Data: < LP&#230;I           > 90 4C 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000149E6502850, 16 bytes long.
 Data: <hLP&#230;I           > 68 4C 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149E65032A0, 16 bytes long.
 Data: <@LP&#230;I           > 40 4C 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000149E6502B70, 16 bytes long.
 Data: < LP&#230;I           > 18 4C 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000149E6503160, 16 bytes long.
 Data: <&#240;KP&#230;I           > F0 4B 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000149E6503020, 16 bytes long.
 Data: < &#230;O&#230;I           > 80 E6 4F E6 49 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000149E64FE680, 40 bytes long.
 Data: < 0P&#230;I   &#208; &#238;&#231;I   > 20 30 50 E6 49 01 00 00 D0 15 EE E7 49 01 00 00 
{264} normal block at 0x00000149E6502CB0, 16 bytes long.
 Data: <&#208;KP&#230;I           > D0 4B 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000149E65030C0, 16 bytes long.
 Data: <&#168;KP&#230;I           > A8 4B 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000149E64FD350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000149E65028F0, 16 bytes long.
 Data: < KP&#230;I           > 80 4B 50 E6 49 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000149E6504B80, 992 bytes long.
 Data: <&#240;(P&#230;I   P&#211;O&#230;I   > F0 28 50 E6 49 01 00 00 50 D3 4F E6 49 01 00 00 
{96} normal block at 0x00000149E64FCDB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000149E64F7BA0, 16 bytes long.
 Data: <&#208;&#231;O&#230;I           > D0 E7 4F E6 49 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000149E64FE7D0, 40 bytes long.
 Data: <&#160;{O&#230;I   &#176;&#205;O&#230;I   > A0 7B 4F E6 49 01 00 00 B0 CD 4F E6 49 01 00 00 
{73} normal block at 0x00000149E64F8050, 16 bytes long.
 Data: < &#234;&#210;&#150;&#246;           > 80 EA D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000149E64F7F60, 16 bytes long.
 Data: <@&#233;&#210;&#150;&#246;           > 40 E9 D2 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000149E64F83C0, 16 bytes long.
 Data: <&#248;W&#207;&#150;&#246;           > F8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000149E64F7EC0, 16 bytes long.
 Data: <&#216;W&#207;&#150;&#246;           > D8 57 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000149E64F7CE0, 16 bytes long.
 Data: <P &#207;&#150;&#246;           > 50 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000149E64F7B50, 16 bytes long.
 Data: <0 &#207;&#150;&#246;           > 30 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000149E64F7970, 16 bytes long.
 Data: <&#224; &#207;&#150;&#246;           > E0 02 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000149E64F8000, 16 bytes long.
 Data: <  &#207;&#150;&#246;           > 10 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000149E64F87D0, 16 bytes long.
 Data: <p &#207;&#150;&#246;           > 70 04 CF 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000149E64F7B00, 16 bytes long.
 Data: < &#192;&#205;&#150;&#246;           > 18 C0 CD 96 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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