Task 38671564

Name test_802-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND0064_0
Workunit 31613762
Created 25 Oct 2026, 20:54:00 UTC
Sent 25 Oct 2026, 20:54:05 UTC
Report deadline 30 Oct 2026, 20:54:05 UTC
Received 25 Oct 2026, 21:41:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 624458
Run time 19 min 31 sec
CPU time 19 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,355.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.45 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:21:45 (9028): wrapper (7.9.26016): starting
17:21:45 (9028): 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
17:21:46 (9028): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:21:46 (9028): 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
17:40:36 (9028): C:/Windows/system32/cmd.exe exited; CPU time 1155.718750
17:40:36 (9028): 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: 16034671 bytes.
Dumping objects ->
{3835562} normal block at 0x000001FD2CF22040, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835551} normal block at 0x000001FD2CF22200, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x000001FD2CF22120, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835529} normal block at 0x000001FD2CF21D30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835518} normal block at 0x000001FD2CF21BE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835487} normal block at 0x000001FD2CFE7150, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x000001FD2CFAE9A0, 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) : {3835473} normal block at 0x000001FD2B1EEF30, 8 bytes long.
 Data: <  w+&#253;   > 00 00 77 2B FD 01 00 00 
{3834695} normal block at 0x000001FD2CFAE8F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001FD2B1EF390, 8 bytes long.
 Data: <  &#254;,&#253;   > 10 80 FE 2C FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001FD2B1F1130, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FD2B1DEEB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001FD2B1F63A0, 16 bytes long.
 Data: <8U +&#253;           > 38 55 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FD2B1F5E00, 16 bytes long.
 Data: < U +&#253;           > 10 55 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FD2B1EF840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001FD2B1F64E0, 16 bytes long.
 Data: <&#232;T +&#253;           > E8 54 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FD2B1F58B0, 16 bytes long.
 Data: <&#192;T +&#253;           > C0 54 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FD2B1F5F90, 16 bytes long.
 Data: < T +&#253;           > 98 54 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FD2B1F65D0, 16 bytes long.
 Data: <pT +&#253;           > 70 54 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FD2B1F3BC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001FD2B1F5900, 16 bytes long.
 Data: <(&#142; +&#253;           > 28 8E 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FD2B1EFCC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001FD2B1F5B80, 16 bytes long.
 Data: < &#142; +&#253;           > 00 8E 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FD2B1F6210, 16 bytes long.
 Data: <&#216;  +&#253;           > D8 8D 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FD2B1F5EA0, 16 bytes long.
 Data: <&#176;  +&#253;           > B0 8D 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FD2B1F6490, 16 bytes long.
 Data: <   +&#253;           > 88 8D 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD2B1F5D10, 16 bytes long.
 Data: <`  +&#253;           > 60 8D 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FD2B1F5BD0, 16 bytes long.
 Data: <8  +&#253;           > 38 8D 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FD2B1EF720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001FD2B1F6440, 16 bytes long.
 Data: <   +&#253;           > 10 8D 1E 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FD2B1E8D10, 320 bytes long.
 Data: <@d +&#253;    &#247; +&#253;   > 40 64 1F 2B FD 01 00 00 20 F7 1E 2B FD 01 00 00 
{279} normal block at 0x000001FD2B1F6080, 16 bytes long.
 Data: <PT +&#253;           > 50 54 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FD2B1F5680, 16 bytes long.
 Data: <(T +&#253;           > 28 54 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FD2B1F05C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001FD2B1F5CC0, 16 bytes long.
 Data: < T +&#253;           > 00 54 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FD2B1F04A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001FD2B1F57C0, 16 bytes long.
 Data: <HS +&#253;           > 48 53 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD2B1F6300, 16 bytes long.
 Data: < S +&#253;           > 20 53 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FD2B1F5C70, 16 bytes long.
 Data: <&#248;R +&#253;           > F8 52 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FD2B1F5FE0, 16 bytes long.
 Data: <&#208;R +&#253;           > D0 52 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FD2B1F5E50, 16 bytes long.
 Data: <&#168;R +&#253;           > A8 52 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FD2B1EEE90, 16 bytes long.
 Data: < R +&#253;           > 80 52 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FD2B1EEC60, 16 bytes long.
 Data: <&#208;7 +&#253;           > D0 37 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FD2B1F37D0, 40 bytes long.
 Data: <`&#236; +&#253;   Pq&#254;,&#253;   > 60 EC 1E 2B FD 01 00 00 50 71 FE 2C FD 01 00 00 
{265} normal block at 0x000001FD2B1EEC10, 16 bytes long.
 Data: <`R +&#253;           > 60 52 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FD2B1EEE40, 16 bytes long.
 Data: <8R +&#253;           > 38 52 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FD2B1EFE40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001FD2B1EEB70, 16 bytes long.
 Data: < R +&#253;           > 10 52 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FD2B1F5210, 992 bytes long.
 Data: <p&#235; +&#253;   @&#254; +&#253;   > 70 EB 1E 2B FD 01 00 00 40 FE 1E 2B FD 01 00 00 
{97} normal block at 0x000001FD2B1F01A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001FD2B1EED00, 16 bytes long.
 Data: <@8 +&#253;           > 40 38 1F 2B FD 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001FD2B1F3840, 40 bytes long.
 Data: < &#237; +&#253;   &#160;  +&#253;   > 00 ED 1E 2B FD 01 00 00 A0 01 1F 2B FD 01 00 00 
{74} normal block at 0x000001FD2B1EECB0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FD2B1EF020, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FD2B1EF070, 16 bytes long.
 Data: <&#248;W&#149; &#247;           > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FD2B1EE800, 16 bytes long.
 Data: <&#216;W&#149; &#247;           > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FD2B1EF0C0, 16 bytes long.
 Data: <P &#149; &#247;           > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FD2B1EE990, 16 bytes long.
 Data: <0 &#149; &#247;           > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FD2B1EE7B0, 16 bytes long.
 Data: <&#224; &#149; &#247;           > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FD2B1EEDA0, 16 bytes long.
 Data: <  &#149; &#247;           > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FD2B1EF160, 16 bytes long.
 Data: <p &#149; &#247;           > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FD2B1EE760, 16 bytes long.
 Data: < &#192;&#147; &#247;           > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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