Task 38686640

Name test_379-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6691_0
Workunit 31628065
Created 28 Oct 2026, 3:39:46 UTC
Sent 28 Oct 2026, 3:39:48 UTC
Report deadline 2 Nov 2026, 3:39:48 UTC
Received 28 Oct 2026, 4:06:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580417
Run time 26 min 13 sec
CPU time 24 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.21 MB
Peak swap size 6.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:40:52 (23568): wrapper (7.9.26016): starting
23:40:52 (23568): 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
23:40:53 (23568): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:40:53 (23568): 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
00:06:12 (23568): C:/Windows/system32/cmd.exe exited; CPU time 1491.140625
00:06:12 (23568): 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: 27006249 bytes.
Dumping objects ->
{3835542} normal block at 0x0000013E3C686400, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x0000013E3C6866A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835520} normal block at 0x0000013E3C686940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835509} normal block at 0x0000013E3C686860, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835498} normal block at 0x0000013E3C686550, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835467} normal block at 0x0000013E3E384B70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000013E3E39E920, 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) : {3835453} normal block at 0x0000013E3C67FAF0, 8 bytes long.
 Data: <  &#176;<>   > 00 00 B0 3C 3E 01 00 00 
{3834690} normal block at 0x0000013E3E39E5B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000013E3C67F1E0, 8 bytes long.
 Data: <&#208;?A>>   > D0 3F 41 3E 3E 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000013E3C67DF60, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000013E3C6761C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000013E3C6850D0, 16 bytes long.
 Data: <&#216;ah<>           > D8 61 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013E3C685350, 16 bytes long.
 Data: <&#176;ah<>           > B0 61 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013E3C680C20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000013E3C685080, 16 bytes long.
 Data: < ah<>           > 88 61 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013E3C6856C0, 16 bytes long.
 Data: <`ah<>           > 60 61 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013E3C685300, 16 bytes long.
 Data: <8ah<>           > 38 61 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013E3C685800, 16 bytes long.
 Data: < ah<>           > 10 61 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013E3C686470, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000013E3C685940, 16 bytes long.
 Data: <&#232; g<>           > E8 8F 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000013E3C680800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000013E3C685030, 16 bytes long.
 Data: <&#192; g<>           > C0 8F 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013E3C685260, 16 bytes long.
 Data: <  g<>           > 98 8F 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013E3C685A80, 16 bytes long.
 Data: <p g<>           > 70 8F 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013E3C6853A0, 16 bytes long.
 Data: <H g<>           > 48 8F 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013E3C685DA0, 16 bytes long.
 Data: <  g<>           > 20 8F 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013E3C6852B0, 16 bytes long.
 Data: <&#248;&#142;g<>           > F8 8E 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013E3C680920, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000013E3C685210, 16 bytes long.
 Data: <&#208;&#142;g<>           > D0 8E 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013E3C678ED0, 320 bytes long.
 Data: < Rh<>    	h<>   > 10 52 68 3C 3E 01 00 00 20 09 68 3C 3E 01 00 00 
{275} normal block at 0x0000013E3C685620, 16 bytes long.
 Data: <&#240;`h<>           > F0 60 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013E3C685A30, 16 bytes long.
 Data: <&#200;`h<>           > C8 60 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013E3C6803E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000013E3C6859E0, 16 bytes long.
 Data: <&#160;`h<>           > A0 60 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013E3C680A40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000013E3C684FE0, 16 bytes long.
 Data: <&#232;_h<>           > E8 5F 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013E3C685170, 16 bytes long.
 Data: <&#192;_h<>           > C0 5F 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013E3C685DF0, 16 bytes long.
 Data: < _h<>           > 98 5F 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013E3C684F90, 16 bytes long.
 Data: <p_h<>           > 70 5F 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013E3C6855D0, 16 bytes long.
 Data: <H_h<>           > 48 5F 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013E3C6851C0, 16 bytes long.
 Data: < _h<>           > 20 5F 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013E3C6858F0, 16 bytes long.
 Data: <&#160;&#203;f<>           > A0 CB 66 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013E3C66CBA0, 40 bytes long.
 Data: <&#240;Xh<>   pK8>>   > F0 58 68 3C 3E 01 00 00 70 4B 38 3E 3E 01 00 00 
{261} normal block at 0x0000013E3C685710, 16 bytes long.
 Data: < _h<>           > 00 5F 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013E3C6854E0, 16 bytes long.
 Data: <&#216;^h<>           > D8 5E 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013E3C6808C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000013E3C684EF0, 16 bytes long.
 Data: <&#176;^h<>           > B0 5E 68 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000013E3C685EB0, 992 bytes long.
 Data: <&#240;Nh<>   &#192; h<>   > F0 4E 68 3C 3E 01 00 00 C0 08 68 3C 3E 01 00 00 
{93} normal block at 0x0000013E3C680AA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000013E3C67F6E0, 16 bytes long.
 Data: <&#224;Dg<>           > E0 44 67 3C 3E 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000013E3C6744E0, 40 bytes long.
 Data: <&#224;&#246;g<>   &#160; h<>   > E0 F6 67 3C 3E 01 00 00 A0 0A 68 3C 3E 01 00 00 
{70} normal block at 0x0000013E3C67F9B0, 16 bytes long.
 Data: < &#234;&#161;?&#247;           > 80 EA A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013E3C67F960, 16 bytes long.
 Data: <@&#233;&#161;?&#247;           > 40 E9 A1 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013E3C67F5A0, 16 bytes long.
 Data: <&#248;W&#158;?&#247;           > F8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013E3C67FB40, 16 bytes long.
 Data: <&#216;W&#158;?&#247;           > D8 57 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013E3C67F5F0, 16 bytes long.
 Data: <P &#158;?&#247;           > 50 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013E3C67FBE0, 16 bytes long.
 Data: <0 &#158;?&#247;           > 30 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013E3C67FB90, 16 bytes long.
 Data: <&#224; &#158;?&#247;           > E0 02 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013E3C67F140, 16 bytes long.
 Data: <  &#158;?&#247;           > 10 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013E3C67F2D0, 16 bytes long.
 Data: <p &#158;?&#247;           > 70 04 9E 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013E3C67F230, 16 bytes long.
 Data: < &#192;&#156;?&#247;           > 18 C0 9C 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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