Task 38686945

Name test_464-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5424_1
Workunit 31626794
Created 28 Oct 2026, 5:10:34 UTC
Sent 28 Oct 2026, 5:10:43 UTC
Report deadline 2 Nov 2026, 5:10:43 UTC
Received 28 Oct 2026, 6:23:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 31 sec
CPU time 51 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.73 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
01:23:44 (52100): wrapper (7.9.26016): starting
01:23:44 (52100): 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
01:23:45 (52100): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:23:45 (52100): 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
02:22:06 (52100): C:/Windows/system32/cmd.exe exited; CPU time 3098.265625
02:22:06 (52100): 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: 83444243 bytes.
Dumping objects ->
{3835500} normal block at 0x0000022490534630, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000022490534320, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x00000224905341D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x0000022490534710, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000022490534160, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x00000224922D7770, 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) : {3835412} normal block at 0x000002249052E4A0, 8 bytes long.
 Data: <  &#189; $   > 00 00 BD 90 24 02 00 00 
{3833959} normal block at 0x000002249052E270, 8 bytes long.
 Data: < &#204;U $   > 90 CC 55 90 24 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000224905309C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002249051F300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000022490534FE0, 16 bytes long.
 Data: < aS $           > 88 61 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022490535990, 16 bytes long.
 Data: <`aS $           > 60 61 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002249052FD70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000022490534F90, 16 bytes long.
 Data: <8aS $           > 38 61 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022490534EF0, 16 bytes long.
 Data: < aS $           > 10 61 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022490535CB0, 16 bytes long.
 Data: <&#232;`S $           > E8 60 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000224905352B0, 16 bytes long.
 Data: <&#192;`S $           > C0 60 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022490534240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000022490535260, 16 bytes long.
 Data: <&#232;&#180;Q $           > E8 B4 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002249052FA70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000224905355D0, 16 bytes long.
 Data: <&#192;&#180;Q $           > C0 B4 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022490535D50, 16 bytes long.
 Data: < &#180;Q $           > 98 B4 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022490535940, 16 bytes long.
 Data: <p&#180;Q $           > 70 B4 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022490535A80, 16 bytes long.
 Data: <H&#180;Q $           > 48 B4 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000224905354E0, 16 bytes long.
 Data: < &#180;Q $           > 20 B4 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022490535BC0, 16 bytes long.
 Data: <&#248;&#179;Q $           > F8 B3 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002249052F5F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000022490535490, 16 bytes long.
 Data: <&#208;&#179;Q $           > D0 B3 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002249051B3D0, 320 bytes long.
 Data: < TS $   &#240;&#245;R $   > 90 54 53 90 24 02 00 00 F0 F5 52 90 24 02 00 00 
{275} normal block at 0x0000022490535210, 16 bytes long.
 Data: <&#160;`S $           > A0 60 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022490535B70, 16 bytes long.
 Data: <x`S $           > 78 60 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002249052FA10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000022490535120, 16 bytes long.
 Data: <P`S $           > 50 60 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002249052F890, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000022490535A30, 16 bytes long.
 Data: < _S $           > 98 5F 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022490534F40, 16 bytes long.
 Data: <p_S $           > 70 5F 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022490535440, 16 bytes long.
 Data: <H_S $           > 48 5F 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022490535800, 16 bytes long.
 Data: < _S $           > 20 5F 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000224905358F0, 16 bytes long.
 Data: <&#248;^S $           > F8 5E 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022490535580, 16 bytes long.
 Data: <&#208;^S $           > D0 5E 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022490534EA0, 16 bytes long.
 Data: <&#224;DS $           > E0 44 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000224905344E0, 40 bytes long.
 Data: <&#160;NS $   pw-&#146;$   > A0 4E 53 90 24 02 00 00 70 77 2D 92 24 02 00 00 
{261} normal block at 0x00000224905351C0, 16 bytes long.
 Data: <&#176;^S $           > B0 5E 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022490535DF0, 16 bytes long.
 Data: < ^S $           > 88 5E 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002249052FF50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000224905358A0, 16 bytes long.
 Data: <`^S $           > 60 5E 53 90 24 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000022490535E60, 992 bytes long.
 Data: <&#160;XS $   P&#255;R $   > A0 58 53 90 24 02 00 00 50 FF 52 90 24 02 00 00 
{93} normal block at 0x000002249052FB90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002249052E400, 16 bytes long.
 Data: < &#211;Q $           > 00 D3 51 90 24 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002249051D300, 40 bytes long.
 Data: < &#228;R $    &#251;R $   > 00 E4 52 90 24 02 00 00 90 FB 52 90 24 02 00 00 
{70} normal block at 0x000002249052E2C0, 16 bytes long.
 Data: < &#234;&#203;e&#247;           > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002249052E630, 16 bytes long.
 Data: <@&#233;&#203;e&#247;           > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002249052E9A0, 16 bytes long.
 Data: <&#248;W&#200;e&#247;           > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002249052F030, 16 bytes long.
 Data: <&#216;W&#200;e&#247;           > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002249052E590, 16 bytes long.
 Data: <P &#200;e&#247;           > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002249052EC70, 16 bytes long.
 Data: <0 &#200;e&#247;           > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002249052E540, 16 bytes long.
 Data: <&#224; &#200;e&#247;           > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002249052ED60, 16 bytes long.
 Data: <  &#200;e&#247;           > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002249052EC20, 16 bytes long.
 Data: <p &#200;e&#247;           > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002249052EBD0, 16 bytes long.
 Data: < &#192;&#198;e&#247;           > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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