Task 38665190

Name test_506-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND8751_0
Workunit 31608308
Created 25 Oct 2026, 0:48:42 UTC
Sent 25 Oct 2026, 0:53:10 UTC
Report deadline 30 Oct 2026, 0:53:10 UTC
Received 25 Oct 2026, 21:41:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 10 hours 17 min 40 sec
CPU time 9 hours 48 min
Validate state Valid
Credit 600,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.61 MB
Peak swap size 12.92 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
05:26:40 (32496): wrapper (7.9.26016): starting
05:26:40 (32496): 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
05:26:41 (32496): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:26:41 (32496): 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
15:40:51 (32496): C:/Windows/system32/cmd.exe exited; CPU time 35280.781250
15:40:52 (32496): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 665021183 bytes.
Dumping objects ->
{3835871} normal block at 0x000002BD2D6054B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835860} normal block at 0x000002BD2B7A5920, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x000002BD2B7A5290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835838} normal block at 0x000002BD2B7A5680, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835827} normal block at 0x000002BD2B7A5610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835796} normal block at 0x000002BD2D5AB970, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835785} normal block at 0x000002BD2B7CB260, 120 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) : {3835782} normal block at 0x000002BD2B79E230, 8 bytes long.
 Data: <  &#199;+&#189;   > 00 00 C7 2B BD 02 00 00 
{3834849} normal block at 0x000002BD2B7CB560, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002BD2B79DEC0, 8 bytes long.
 Data: < Zc-&#189;   > 80 5A 63 2D BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002BD2B7A2360, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002BD2B7908D0, 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 0x000002BD2B7A6AC0, 16 bytes long.
 Data: < vz+&#189;           > 98 76 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002BD2B7A69D0, 16 bytes long.
 Data: <pvz+&#189;           > 70 76 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002BD2B7A02F0, 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 0x000002BD2B7A7150, 16 bytes long.
 Data: <Hvz+&#189;           > 48 76 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002BD2B7A6980, 16 bytes long.
 Data: < vz+&#189;           > 20 76 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002BD2B7A6610, 16 bytes long.
 Data: <&#248;uz+&#189;           > F8 75 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002BD2B7A63E0, 16 bytes long.
 Data: <&#208;uz+&#189;           > D0 75 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BD2B7A5840, 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 0x000002BD2B7A6D40, 16 bytes long.
 Data: <h_z+&#189;           > 68 5F 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BD2B7A07D0, 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 0x000002BD2B7A6520, 16 bytes long.
 Data: <@_z+&#189;           > 40 5F 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BD2B7A6A70, 16 bytes long.
 Data: < _z+&#189;           > 18 5F 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BD2B7A6CF0, 16 bytes long.
 Data: <&#240;^z+&#189;           > F0 5E 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BD2B7A6F20, 16 bytes long.
 Data: <&#200;^z+&#189;           > C8 5E 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BD2B7A6D90, 16 bytes long.
 Data: <&#160;^z+&#189;           > A0 5E 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BD2B7A6CA0, 16 bytes long.
 Data: <x^z+&#189;           > 78 5E 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BD2B7A0A10, 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 0x000002BD2B7A6A20, 16 bytes long.
 Data: <P^z+&#189;           > 50 5E 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BD2B7A5E50, 320 bytes long.
 Data: < jz+&#189;     z+&#189;   > 20 6A 7A 2B BD 02 00 00 10 0A 7A 2B BD 02 00 00 
{281} normal block at 0x000002BD2B7A68E0, 16 bytes long.
 Data: <&#176;uz+&#189;           > B0 75 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BD2B7A7060, 16 bytes long.
 Data: < uz+&#189;           > 88 75 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BD2B7A0290, 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 0x000002BD2B7A6E80, 16 bytes long.
 Data: <`uz+&#189;           > 60 75 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BD2B7A0590, 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 0x000002BD2B7A65C0, 16 bytes long.
 Data: <&#168;tz+&#189;           > A8 74 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BD2B7A6890, 16 bytes long.
 Data: < tz+&#189;           > 80 74 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BD2B7A7010, 16 bytes long.
 Data: <Xtz+&#189;           > 58 74 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BD2B7A7100, 16 bytes long.
 Data: <0tz+&#189;           > 30 74 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BD2B7A6FC0, 16 bytes long.
 Data: < tz+&#189;           > 08 74 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BD2B7A6F70, 16 bytes long.
 Data: <&#224;sz+&#189;           > E0 73 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BD2B7A6200, 16 bytes long.
 Data: <&#208;Wz+&#189;           > D0 57 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BD2B7A57D0, 40 bytes long.
 Data: < bz+&#189;   p&#185;Z-&#189;   > 00 62 7A 2B BD 02 00 00 70 B9 5A 2D BD 02 00 00 
{267} normal block at 0x000002BD2B7A67A0, 16 bytes long.
 Data: <&#192;sz+&#189;           > C0 73 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BD2B7A67F0, 16 bytes long.
 Data: < sz+&#189;           > 98 73 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BD2B7A0770, 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 0x000002BD2B7A6930, 16 bytes long.
 Data: <psz+&#189;           > 70 73 7A 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BD2B7A7370, 992 bytes long.
 Data: <0iz+&#189;   p z+&#189;   > 30 69 7A 2B BD 02 00 00 70 07 7A 2B BD 02 00 00 
{99} normal block at 0x000002BD2B79FED0, 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 0x000002BD2B79E3C0, 16 bytes long.
 Data: <&#160; y+&#189;           > A0 16 79 2B BD 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002BD2B7916A0, 40 bytes long.
 Data: <&#192;&#227;y+&#189;   &#208;&#254;y+&#189;   > C0 E3 79 2B BD 02 00 00 D0 FE 79 2B BD 02 00 00 
{76} normal block at 0x000002BD2B79E0A0, 16 bytes long.
 Data: < &#234;&#135;>&#247;           > 80 EA 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002BD2B79DE70, 16 bytes long.
 Data: <@&#233;&#135;>&#247;           > 40 E9 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002BD2B79E6E0, 16 bytes long.
 Data: <&#248;W&#132;>&#247;           > F8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002BD2B79D970, 16 bytes long.
 Data: <&#216;W&#132;>&#247;           > D8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002BD2B79DCE0, 16 bytes long.
 Data: <P &#132;>&#247;           > 50 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002BD2B79DD80, 16 bytes long.
 Data: <0 &#132;>&#247;           > 30 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002BD2B79E550, 16 bytes long.
 Data: <&#224; &#132;>&#247;           > E0 02 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002BD2B79DC40, 16 bytes long.
 Data: <  &#132;>&#247;           > 10 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BD2B79DFB0, 16 bytes long.
 Data: <p &#132;>&#247;           > 70 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BD2B79E050, 16 bytes long.
 Data: < &#192;&#130;>&#247;           > 18 C0 82 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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