Task 38698542

Name test_670-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6236_0
Workunit 31639056
Created 2 Nov 2026, 17:28:14 UTC
Sent 2 Nov 2026, 17:28:18 UTC
Report deadline 7 Nov 2026, 17:28:18 UTC
Received 2 Nov 2026, 18:29:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654983
Run time 42 min 57 sec
CPU time 34 min 17 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 720.83 MB
Peak swap size 6.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:30:56 (24228): wrapper (7.9.26016): starting
18:30:56 (24228): 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
18:30:58 (24228): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:30:58 (24228): 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
19:12:28 (24228): C:/Windows/system32/cmd.exe exited; CPU time 2057.984375
19:12:28 (24228): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 48789313 bytes.
Dumping objects ->
{3835242} normal block at 0x000001F902B91480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001F902B913A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000001F902B91330, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835209} normal block at 0x000001F902B90ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001F902B908B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835167} normal block at 0x000001F902C8F120, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835154} normal block at 0x000001F900F901B0, 8 bytes long.
 Data: <  8 &#249;   > 00 00 38 01 F9 01 00 00 
{3833971} normal block at 0x000001F900F90110, 8 bytes long.
 Data: <&#208;&#149;&#206; &#249;   > D0 95 CE 02 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001F900F861E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001F900F87D80, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001F900F9ABA0, 16 bytes long.
 Data: <&#168;&#178;&#249; &#249;           > A8 B2 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F900F9A560, 16 bytes long.
 Data: < &#178;&#249; &#249;           > 80 B2 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F900F95FE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001F900F9AD30, 16 bytes long.
 Data: <X&#178;&#249; &#249;           > 58 B2 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F900F9A650, 16 bytes long.
 Data: <0&#178;&#249; &#249;           > 30 B2 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F900F9AE70, 16 bytes long.
 Data: < &#178;&#249; &#249;           > 08 B2 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F900F9AB50, 16 bytes long.
 Data: <&#224;&#177;&#249; &#249;           > E0 B1 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F900F93C40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001F900F9AC90, 16 bytes long.
 Data: <&#232;J&#248; &#249;           > E8 4A F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F900F96160, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001F900F99FC0, 16 bytes long.
 Data: <&#192;J&#248; &#249;           > C0 4A F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F900F9A510, 16 bytes long.
 Data: < J&#248; &#249;           > 98 4A F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F900F9AF10, 16 bytes long.
 Data: <pJ&#248; &#249;           > 70 4A F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F900F9A9C0, 16 bytes long.
 Data: <HJ&#248; &#249;           > 48 4A F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F900F9A420, 16 bytes long.
 Data: < J&#248; &#249;           > 20 4A F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F900F9A880, 16 bytes long.
 Data: <&#248;I&#248; &#249;           > F8 49 F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F900F96100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001F900F9A4C0, 16 bytes long.
 Data: <&#208;I&#248; &#249;           > D0 49 F8 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F900F849D0, 320 bytes long.
 Data: <&#192;&#164;&#249; &#249;    a&#249; &#249;   > C0 A4 F9 00 F9 01 00 00 00 61 F9 00 F9 01 00 00 
{281} normal block at 0x000001F900F9AC40, 16 bytes long.
 Data: <&#192;&#177;&#249; &#249;           > C0 B1 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F900F9A470, 16 bytes long.
 Data: < &#177;&#249; &#249;           > 98 B1 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F900F96280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001F900F9A7E0, 16 bytes long.
 Data: <p&#177;&#249; &#249;           > 70 B1 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F900F96040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001F900F9A3D0, 16 bytes long.
 Data: <&#184;&#176;&#249; &#249;           > B8 B0 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F900F9ACE0, 16 bytes long.
 Data: < &#176;&#249; &#249;           > 90 B0 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F900F9ABF0, 16 bytes long.
 Data: <h&#176;&#249; &#249;           > 68 B0 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F900F9AB00, 16 bytes long.
 Data: <@&#176;&#249; &#249;           > 40 B0 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F900F9A010, 16 bytes long.
 Data: < &#176;&#249; &#249;           > 18 B0 F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F900F9A8D0, 16 bytes long.
 Data: <&#240;&#175;&#249; &#249;           > F0 AF F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F900F9AE20, 16 bytes long.
 Data: <&#192;?&#249; &#249;           > C0 3F F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F900F93FC0, 40 bytes long.
 Data: < &#174;&#249; &#249;    &#241;&#200; &#249;   > 20 AE F9 00 F9 01 00 00 20 F1 C8 02 F9 01 00 00 
{267} normal block at 0x000001F900F9A830, 16 bytes long.
 Data: <&#208;&#175;&#249; &#249;           > D0 AF F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F900F9ADD0, 16 bytes long.
 Data: <&#168;&#175;&#249; &#249;           > A8 AF F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F900F95F80, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001F900F9A740, 16 bytes long.
 Data: < &#175;&#249; &#249;           > 80 AF F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F900F9AF80, 992 bytes long.
 Data: <@&#167;&#249; &#249;    _&#249; &#249;   > 40 A7 F9 00 F9 01 00 00 80 5F F9 00 F9 01 00 00 
{99} normal block at 0x000001F900F964C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001F900F8FAD0, 16 bytes long.
 Data: < =&#249; &#249;           > 90 3D F9 00 F9 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001F900F93D90, 40 bytes long.
 Data: <&#208;&#250;&#248; &#249;   &#192;d&#249; &#249;   > D0 FA F8 00 F9 01 00 00 C0 64 F9 00 F9 01 00 00 
{76} normal block at 0x000001F900F8FF80, 16 bytes long.
 Data: < &#234;n&#158;&#246;           > 80 EA 6E 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001F900F8FDF0, 16 bytes long.
 Data: <@&#233;n&#158;&#246;           > 40 E9 6E 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001F900F8FA30, 16 bytes long.
 Data: <&#248;Wk&#158;&#246;           > F8 57 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F900F90660, 16 bytes long.
 Data: <&#216;Wk&#158;&#246;           > D8 57 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F900F8FCB0, 16 bytes long.
 Data: <P k&#158;&#246;           > 50 04 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F900F8F9E0, 16 bytes long.
 Data: <0 k&#158;&#246;           > 30 04 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F900F90750, 16 bytes long.
 Data: <&#224; k&#158;&#246;           > E0 02 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F900F90430, 16 bytes long.
 Data: <  k&#158;&#246;           > 10 04 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F900F90070, 16 bytes long.
 Data: <p k&#158;&#246;           > 70 04 6B 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F900F8FDA0, 16 bytes long.
 Data: < &#192;i&#158;&#246;           > 18 C0 69 9E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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