Task 38676946

Name test_190-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6338_0
Workunit 31618837
Created 26 Oct 2026, 12:48:33 UTC
Sent 26 Oct 2026, 12:48:38 UTC
Report deadline 31 Oct 2026, 12:48:38 UTC
Received 26 Oct 2026, 13:29:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652822
Run time 33 min 34 sec
CPU time 33 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 775.61 MB
Peak swap size 24.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:56:30 (29848): wrapper (7.9.26016): starting
07:56:30 (29848): 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
07:56:32 (29848): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:56:32 (29848): 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\1\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\1\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
08:28:55 (29848): C:/Windows/system32/cmd.exe exited; CPU time 2009.781250
08:28:55 (29848): 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: 36185553 bytes.
Dumping objects ->
{3835253} normal block at 0x000001DC86904550, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x000001DC869044E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001DC86904A90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x000001DC86904A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001DC869049B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x000001DC887B45B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x000001DC88808980, 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) : {3835164} normal block at 0x000001DC868FF310, 8 bytes long.
 Data: <  &#139;&#134;&#220;   > 00 00 8B 86 DC 01 00 00 
{3834553} normal block at 0x000001DC888086C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001DC868FF270, 8 bytes long.
 Data: <p<  &#220;   > 70 3C 81 88 DC 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DC86901100, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001DC868EEA20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001DC869062D0, 16 bytes long.
 Data: <&#200;S &#134;&#220;           > C8 53 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DC86906280, 16 bytes long.
 Data: <&#160;S &#134;&#220;           > A0 53 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DC86900270, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001DC86906000, 16 bytes long.
 Data: <xS &#134;&#220;           > 78 53 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DC86906140, 16 bytes long.
 Data: <PS &#134;&#220;           > 50 53 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DC86905F10, 16 bytes long.
 Data: <(S &#134;&#220;           > 28 53 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001DC86905790, 16 bytes long.
 Data: < S &#134;&#220;           > 00 53 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DC86904710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001DC86905560, 16 bytes long.
 Data: <&#232;&#228; &#134;&#220;           > E8 E4 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DC869000F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001DC86905EC0, 16 bytes long.
 Data: <&#192;&#228; &#134;&#220;           > C0 E4 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DC86906460, 16 bytes long.
 Data: < &#228; &#134;&#220;           > 98 E4 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DC869056F0, 16 bytes long.
 Data: <p&#228; &#134;&#220;           > 70 E4 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001DC869059C0, 16 bytes long.
 Data: <H&#228; &#134;&#220;           > 48 E4 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DC86905BF0, 16 bytes long.
 Data: < &#228; &#134;&#220;           > 20 E4 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DC86905740, 16 bytes long.
 Data: <&#248;&#227; &#134;&#220;           > F8 E3 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DC868FFAF0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{276} normal block at 0x000001DC86905D80, 16 bytes long.
 Data: <&#208;&#227; &#134;&#220;           > D0 E3 8F 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DC868FE3D0, 320 bytes long.
 Data: < ] &#134;&#220;   &#240;&#250; &#134;&#220;   > 80 5D 90 86 DC 01 00 00 F0 FA 8F 86 DC 01 00 00 
{274} normal block at 0x000001DC86905E70, 16 bytes long.
 Data: <&#224;R &#134;&#220;           > E0 52 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DC869060F0, 16 bytes long.
 Data: <&#184;R &#134;&#220;           > B8 52 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DC868FF670, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001DC86905920, 16 bytes long.
 Data: < R &#134;&#220;           > 90 52 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DC868FFDF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001DC869056A0, 16 bytes long.
 Data: <&#216;Q &#134;&#220;           > D8 51 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DC86906230, 16 bytes long.
 Data: <&#176;Q &#134;&#220;           > B0 51 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DC86905E20, 16 bytes long.
 Data: < Q &#134;&#220;           > 88 51 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DC86906410, 16 bytes long.
 Data: <`Q &#134;&#220;           > 60 51 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DC86906370, 16 bytes long.
 Data: <8Q &#134;&#220;           > 38 51 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DC868FF2C0, 16 bytes long.
 Data: < Q &#134;&#220;           > 10 51 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DC868FF220, 16 bytes long.
 Data: <&#160;F &#134;&#220;           > A0 46 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DC869046A0, 40 bytes long.
 Data: < &#242; &#134;&#220;   &#176;E{ &#220;   > 20 F2 8F 86 DC 01 00 00 B0 45 7B 88 DC 01 00 00 
{260} normal block at 0x000001DC868FF1D0, 16 bytes long.
 Data: <&#240;P &#134;&#220;           > F0 50 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DC868FF180, 16 bytes long.
 Data: <&#200;P &#134;&#220;           > C8 50 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DC86900090, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001DC868FEDC0, 16 bytes long.
 Data: <&#160;P &#134;&#220;           > A0 50 90 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DC869050A0, 992 bytes long.
 Data: <&#192;&#237; &#134;&#220;      &#134;&#220;   > C0 ED 8F 86 DC 01 00 00 90 00 90 86 DC 01 00 00 
{92} normal block at 0x000001DC868FFB50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001DC868FEF50, 16 bytes long.
 Data: <0&#255;&#142;&#134;&#220;           > 30 FF 8E 86 DC 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001DC868EFF30, 40 bytes long.
 Data: <P&#239; &#134;&#220;   P&#251; &#134;&#220;   > 50 EF 8F 86 DC 01 00 00 50 FB 8F 86 DC 01 00 00 
{69} normal block at 0x000001DC868FE9B0, 16 bytes long.
 Data: < &#234;&#178;:&#247;           > 80 EA B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DC868FE820, 16 bytes long.
 Data: <@&#233;&#178;:&#247;           > 40 E9 B2 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DC868FEFF0, 16 bytes long.
 Data: <&#248;W&#175;:&#247;           > F8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DC868FE960, 16 bytes long.
 Data: <&#216;W&#175;:&#247;           > D8 57 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DC868FE690, 16 bytes long.
 Data: <P &#175;:&#247;           > 50 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DC868FF130, 16 bytes long.
 Data: <0 &#175;:&#247;           > 30 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DC868FEC30, 16 bytes long.
 Data: <&#224; &#175;:&#247;           > E0 02 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DC868FE5A0, 16 bytes long.
 Data: <  &#175;:&#247;           > 10 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DC868FEF00, 16 bytes long.
 Data: <p &#175;:&#247;           > 70 04 AF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DC868FE910, 16 bytes long.
 Data: < &#192;&#173;:&#247;           > 18 C0 AD 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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