Task 38682153

Name test_454-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND9391_0
Workunit 31623783
Created 27 Oct 2026, 6:44:48 UTC
Sent 27 Oct 2026, 6:44:56 UTC
Report deadline 1 Nov 2026, 6:44:56 UTC
Received 27 Oct 2026, 7:36:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 17 min
CPU time 15 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.16 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:19:44 (35968): wrapper (7.9.26016): starting
02:19:44 (35968): 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
02:19:45 (35968): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:19:45 (35968): 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
02:36:29 (35968): C:/Windows/system32/cmd.exe exited; CPU time 956.921875
02:36:29 (35968): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 21127917 bytes.
Dumping objects ->
{3835289} normal block at 0x0000021C4F504630, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x0000021C4F5045C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x0000021C4F504B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x0000021C4F504A90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000021C4F504550, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x0000021C513149F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000021C4F55DB50, 135 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) : {3835200} normal block at 0x0000021C4F500410, 8 bytes long.
 Data: <  KO    > 00 00 4B 4F 1C 02 00 00 
{3834577} normal block at 0x0000021C4F55D9B0, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000021C4F5003C0, 8 bytes long.
 Data: <&#192;?7Q    > C0 3F 37 51 1C 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021C4F500700, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021C4F4F6A00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021C4F5064C0, 16 bytes long.
 Data: <&#168;VPO            > A8 56 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021C4F5066F0, 16 bytes long.
 Data: < VPO            > 80 56 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021C4F4FF140, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000021C4F506470, 16 bytes long.
 Data: <XVPO            > 58 56 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021C4F505DE0, 16 bytes long.
 Data: <0VPO            > 30 56 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021C4F506510, 16 bytes long.
 Data: < VPO            > 08 56 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021C4F5058E0, 16 bytes long.
 Data: <&#224;UPO            > E0 55 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021C4F5049B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021C4F506420, 16 bytes long.
 Data: < &#181;NO            > 08 B5 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021C4F4FEDE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021C4F506600, 16 bytes long.
 Data: <&#224;&#180;NO            > E0 B4 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021C4F506330, 16 bytes long.
 Data: <&#184;&#180;NO            > B8 B4 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021C4F505840, 16 bytes long.
 Data: < &#180;NO            > 90 B4 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021C4F505B10, 16 bytes long.
 Data: <h&#180;NO            > 68 B4 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021C4F506240, 16 bytes long.
 Data: <@&#180;NO            > 40 B4 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021C4F505F70, 16 bytes long.
 Data: < &#180;NO            > 18 B4 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021C4F4FF380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021C4F5066A0, 16 bytes long.
 Data: <&#240;&#179;NO            > F0 B3 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021C4F4EB3F0, 320 bytes long.
 Data: <&#160;fPO     &#243;OO    > A0 66 50 4F 1C 02 00 00 80 F3 4F 4F 1C 02 00 00 
{273} normal block at 0x0000021C4F505BB0, 16 bytes long.
 Data: <&#192;UPO            > C0 55 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021C4F5057F0, 16 bytes long.
 Data: < UPO            > 98 55 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021C4F4FE720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000021C4F506060, 16 bytes long.
 Data: <pUPO            > 70 55 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021C4F4FE6C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000021C4F505A70, 16 bytes long.
 Data: <&#184;TPO            > B8 54 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021C4F505890, 16 bytes long.
 Data: < TPO            > 90 54 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021C4F5061A0, 16 bytes long.
 Data: <hTPO            > 68 54 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021C4F5063D0, 16 bytes long.
 Data: <@TPO            > 40 54 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021C4F500190, 16 bytes long.
 Data: < TPO            > 18 54 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021C4F4FFC90, 16 bytes long.
 Data: <&#240;SPO            > F0 53 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021C4F4FFC40, 16 bytes long.
 Data: < GPO            > 80 47 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021C4F504780, 40 bytes long.
 Data: <@&#252;OO    &#240;I1Q    > 40 FC 4F 4F 1C 02 00 00 F0 49 31 51 1C 02 00 00 
{259} normal block at 0x0000021C4F4FFBF0, 16 bytes long.
 Data: <&#208;SPO            > D0 53 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021C4F4FFAB0, 16 bytes long.
 Data: <&#168;SPO            > A8 53 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021C4F4FE840, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021C4F4FF6F0, 16 bytes long.
 Data: < SPO            > 80 53 50 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021C4F505380, 992 bytes long.
 Data: <&#240;&#246;OO    @&#232;OO    > F0 F6 4F 4F 1C 02 00 00 40 E8 4F 4F 1C 02 00 00 
{91} normal block at 0x0000021C4F4FE780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000021C4F4FFE70, 16 bytes long.
 Data: <&#240;&#176;NO            > F0 B0 4E 4F 1C 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021C4F4EB0F0, 40 bytes long.
 Data: <p&#254;OO     &#231;OO    > 70 FE 4F 4F 1C 02 00 00 80 E7 4F 4F 1C 02 00 00 
{68} normal block at 0x0000021C4F4FF970, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021C4F500370, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021C4F5001E0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021C4F4FFE20, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021C4F5004B0, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021C4F4FFF10, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021C4F4FF7E0, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021C4F4FF790, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021C4F4FF880, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021C4F4FF8D0, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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