Task 38663372

Name test_130-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND8060_1
Workunit 31606542
Created 24 Oct 2026, 21:52:22 UTC
Sent 24 Oct 2026, 21:52:33 UTC
Report deadline 29 Oct 2026, 21:52:33 UTC
Received 24 Oct 2026, 22:55:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654728
Run time 52 min 39 sec
CPU time 48 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,255.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.77 MB
Peak swap size 3.82 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:03:43 (9656): wrapper (7.9.26016): starting
17:03:43 (9656): 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
17:03:44 (9656): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:03:44 (9656): 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
17:55:10 (9656): C:/Windows/system32/cmd.exe exited; CPU time 2915.218750
17:55:10 (9656): 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: 40298839 bytes.
Dumping objects ->
{3835276} normal block at 0x000001F1ECB563D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001F1ECB562F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001F1ECB56210, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000001F1ECB561A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001F1ECB56280, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000001F1EE81CF70, 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) : {3835188} normal block at 0x000001F1ECB51040, 8 bytes long.
 Data: <  &#255;&#236;&#241;   > 00 00 FF EC F1 01 00 00 
{3833957} normal block at 0x000001F1ECB51B80, 8 bytes long.
 Data: <0W&#135;&#238;&#241;   > 30 57 87 EE F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F1ECB52B90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F1ECB48260, 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 0x000001F1ECB577D0, 16 bytes long.
 Data: < n&#181;&#236;&#241;           > 18 6E B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F1ECB570F0, 16 bytes long.
 Data: <&#240;m&#181;&#236;&#241;           > F0 6D B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F1ECB50DB0, 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 0x000001F1ECB57A50, 16 bytes long.
 Data: <&#200;m&#181;&#236;&#241;           > C8 6D B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F1ECB575A0, 16 bytes long.
 Data: <&#160;m&#181;&#236;&#241;           > A0 6D B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F1ECB57190, 16 bytes long.
 Data: <xm&#181;&#236;&#241;           > 78 6D B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F1ECB570A0, 16 bytes long.
 Data: <Pm&#181;&#236;&#241;           > 50 6D B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F1ECB56050, 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 0x000001F1ECB57230, 16 bytes long.
 Data: < &#181;&#179;&#236;&#241;           > 18 B5 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F1ECB502D0, 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 0x000001F1ECB57050, 16 bytes long.
 Data: <&#240;&#180;&#179;&#236;&#241;           > F0 B4 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F1ECB57AA0, 16 bytes long.
 Data: <&#200;&#180;&#179;&#236;&#241;           > C8 B4 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F1ECB57B40, 16 bytes long.
 Data: <&#160;&#180;&#179;&#236;&#241;           > A0 B4 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F1ECB57140, 16 bytes long.
 Data: <x&#180;&#179;&#236;&#241;           > 78 B4 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F1ECB57E10, 16 bytes long.
 Data: <P&#180;&#179;&#236;&#241;           > 50 B4 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F1ECB57E60, 16 bytes long.
 Data: <(&#180;&#179;&#236;&#241;           > 28 B4 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F1ECB50690, 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 0x000001F1ECB56F60, 16 bytes long.
 Data: < &#180;&#179;&#236;&#241;           > 00 B4 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F1ECB3B400, 320 bytes long.
 Data: <`o&#181;&#236;&#241;     &#181;&#236;&#241;   > 60 6F B5 EC F1 01 00 00 90 06 B5 EC F1 01 00 00 
{274} normal block at 0x000001F1ECB57AF0, 16 bytes long.
 Data: <0m&#181;&#236;&#241;           > 30 6D B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F1ECB56FB0, 16 bytes long.
 Data: < m&#181;&#236;&#241;           > 08 6D B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F1ECB50D50, 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 0x000001F1ECB57EB0, 16 bytes long.
 Data: <&#224;l&#181;&#236;&#241;           > E0 6C B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F1ECB508D0, 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 0x000001F1ECB57280, 16 bytes long.
 Data: <(l&#181;&#236;&#241;           > 28 6C B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F1ECB57960, 16 bytes long.
 Data: < l&#181;&#236;&#241;           > 00 6C B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F1ECB57500, 16 bytes long.
 Data: <&#216;k&#181;&#236;&#241;           > D8 6B B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F1ECB57000, 16 bytes long.
 Data: <&#176;k&#181;&#236;&#241;           > B0 6B B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F1ECB516D0, 16 bytes long.
 Data: < k&#181;&#236;&#241;           > 88 6B B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F1ECB51630, 16 bytes long.
 Data: <`k&#181;&#236;&#241;           > 60 6B B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F1ECB512C0, 16 bytes long.
 Data: < e&#181;&#236;&#241;           > 90 65 B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F1ECB56590, 40 bytes long.
 Data: <&#192; &#181;&#236;&#241;   p&#207; &#238;&#241;   > C0 12 B5 EC F1 01 00 00 70 CF 81 EE F1 01 00 00 
{260} normal block at 0x000001F1ECB51130, 16 bytes long.
 Data: <@k&#181;&#236;&#241;           > 40 6B B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F1ECB51F40, 16 bytes long.
 Data: < k&#181;&#236;&#241;           > 18 6B B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F1ECB50270, 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 0x000001F1ECB51680, 16 bytes long.
 Data: <&#240;j&#181;&#236;&#241;           > F0 6A B5 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F1ECB56AF0, 992 bytes long.
 Data: <  &#181;&#236;&#241;   p &#181;&#236;&#241;   > 80 16 B5 EC F1 01 00 00 70 02 B5 EC F1 01 00 00 
{92} normal block at 0x000001F1ECB50F30, 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 0x000001F1ECB51BD0, 16 bytes long.
 Data: < &#198;&#179;&#236;&#241;           > 80 C6 B3 EC F1 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F1ECB3C680, 40 bytes long.
 Data: <&#208; &#181;&#236;&#241;   0 &#181;&#236;&#241;   > D0 1B B5 EC F1 01 00 00 30 0F B5 EC F1 01 00 00 
{69} normal block at 0x000001F1ECB51770, 16 bytes long.
 Data: < &#234;P&#186;&#247;           > 80 EA 50 BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F1ECB51860, 16 bytes long.
 Data: <@&#233;P&#186;&#247;           > 40 E9 50 BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F1ECB51310, 16 bytes long.
 Data: <&#248;WM&#186;&#247;           > F8 57 4D BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F1ECB518B0, 16 bytes long.
 Data: <&#216;WM&#186;&#247;           > D8 57 4D BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F1ECB51540, 16 bytes long.
 Data: <P M&#186;&#247;           > 50 04 4D BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F1ECB511D0, 16 bytes long.
 Data: <0 M&#186;&#247;           > 30 04 4D BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F1ECB51D10, 16 bytes long.
 Data: <&#224; M&#186;&#247;           > E0 02 4D BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F1ECB51270, 16 bytes long.
 Data: <  M&#186;&#247;           > 10 04 4D BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F1ECB51F90, 16 bytes long.
 Data: <p M&#186;&#247;           > 70 04 4D BA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F1ECB51AE0, 16 bytes long.
 Data: < &#192;K&#186;&#247;           > 18 C0 4B BA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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