Task 38651888

Name test_354-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND8370_1
Workunit 31595802
Created 24 Oct 2026, 2:46:51 UTC
Sent 24 Oct 2026, 3:04:19 UTC
Report deadline 29 Oct 2026, 3:04:19 UTC
Received 24 Oct 2026, 4:21:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 33 min 14 sec
CPU time 32 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.88 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:48:59 (18088): wrapper (7.9.26016): starting
06:48:59 (18088): 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
06:49:00 (18088): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:49:00 (18088): 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
07:21:36 (18088): C:/Windows/system32/cmd.exe exited; CPU time 1945.984375
07:21:36 (18088): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 26121819 bytes.
Dumping objects ->
{3835550} normal block at 0x0000013D53B3CFB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000013D51F04420, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x0000013D51F043B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x0000013D51F03E00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x0000013D51F04180, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x0000013D53B889B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x0000013D53BE4D80, 155 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) : {3835461} normal block at 0x0000013D51EFF780, 8 bytes long.
 Data: <  NR=   > 00 00 4E 52 3D 01 00 00 
{3834689} normal block at 0x0000013D53BE51E0, 155 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 0x0000013D51EFF370, 8 bytes long.
 Data: < &#234;&#167;S=   > 20 EA A7 53 3D 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000013D51EFFED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013D51EEEB10, 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 0x0000013D51F04B30, 16 bytes long.
 Data: < \&#240;Q=           > 88 5C F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000013D51F051C0, 16 bytes long.
 Data: <`\&#240;Q=           > 60 5C F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013D51EFDFB0, 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 0x0000013D51F04A90, 16 bytes long.
 Data: <8\&#240;Q=           > 38 5C F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013D51F057B0, 16 bytes long.
 Data: < \&#240;Q=           > 10 5C F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013D51F049F0, 16 bytes long.
 Data: <&#232;[&#240;Q=           > E8 5B F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013D51F049A0, 16 bytes long.
 Data: <&#192;[&#240;Q=           > C0 5B F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013D51F042D0, 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 0x0000013D51F054E0, 16 bytes long.
 Data: < &#249;&#238;Q=           > 18 F9 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013D51EFE7F0, 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 0x0000013D51F05490, 16 bytes long.
 Data: <&#240;&#248;&#238;Q=           > F0 F8 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013D51F04E00, 16 bytes long.
 Data: <&#200;&#248;&#238;Q=           > C8 F8 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013D51F05120, 16 bytes long.
 Data: <&#160;&#248;&#238;Q=           > A0 F8 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013D51F04BD0, 16 bytes long.
 Data: <x&#248;&#238;Q=           > 78 F8 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013D51F05620, 16 bytes long.
 Data: <P&#248;&#238;Q=           > 50 F8 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013D51F05760, 16 bytes long.
 Data: <(&#248;&#238;Q=           > 28 F8 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013D51EFEBB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000013D51F04DB0, 16 bytes long.
 Data: < &#248;&#238;Q=           > 00 F8 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013D51EEF800, 320 bytes long.
 Data: <&#176;M&#240;Q=   &#176;&#235;&#239;Q=   > B0 4D F0 51 3D 01 00 00 B0 EB EF 51 3D 01 00 00 
{274} normal block at 0x0000013D51F05030, 16 bytes long.
 Data: <&#160;[&#240;Q=           > A0 5B F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000013D51F05170, 16 bytes long.
 Data: <x[&#240;Q=           > 78 5B F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013D51EFE550, 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 0x0000013D51F056C0, 16 bytes long.
 Data: <P[&#240;Q=           > 50 5B F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013D51EFDE90, 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 0x0000013D51F05440, 16 bytes long.
 Data: < Z&#240;Q=           > 98 5A F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013D51F04D60, 16 bytes long.
 Data: <pZ&#240;Q=           > 70 5A F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013D51F053F0, 16 bytes long.
 Data: <HZ&#240;Q=           > 48 5A F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013D51F04A40, 16 bytes long.
 Data: < Z&#240;Q=           > 20 5A F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000013D51F05710, 16 bytes long.
 Data: <&#248;Y&#240;Q=           > F8 59 F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013D51F04C70, 16 bytes long.
 Data: <&#208;Y&#240;Q=           > D0 59 F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000013D51F04FE0, 16 bytes long.
 Data: <p>&#240;Q=           > 70 3E F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013D51F03E70, 40 bytes long.
 Data: <&#224;O&#240;Q=   &#176;&#137;&#184;S=   > E0 4F F0 51 3D 01 00 00 B0 89 B8 53 3D 01 00 00 
{260} normal block at 0x0000013D51F058F0, 16 bytes long.
 Data: <&#176;Y&#240;Q=           > B0 59 F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000013D51F04F90, 16 bytes long.
 Data: < Y&#240;Q=           > 88 59 F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013D51EFDE30, 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 0x0000013D51F058A0, 16 bytes long.
 Data: <`Y&#240;Q=           > 60 59 F0 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000013D51F05960, 992 bytes long.
 Data: <&#160;X&#240;Q=   0&#222;&#239;Q=   > A0 58 F0 51 3D 01 00 00 30 DE EF 51 3D 01 00 00 
{92} normal block at 0x0000013D51EFE8B0, 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 0x0000013D51EFFAF0, 16 bytes long.
 Data: < &#217;&#238;Q=           > 10 D9 EE 51 3D 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000013D51EED910, 40 bytes long.
 Data: <&#240;&#250;&#239;Q=   &#176;&#232;&#239;Q=   > F0 FA EF 51 3D 01 00 00 B0 E8 EF 51 3D 01 00 00 
{69} normal block at 0x0000013D51EFF320, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013D51EFF870, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013D51EFF460, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013D51EFF8C0, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013D51EFF410, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013D51EFF640, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013D51EFF690, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013D51EFF730, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000013D51EFFCD0, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000013D51EFF7D0, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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