Task 38658881

Name test_915-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND7595_0
Workunit 31602443
Created 24 Oct 2026, 13:06:10 UTC
Sent 24 Oct 2026, 13:14:53 UTC
Report deadline 29 Oct 2026, 13:14:53 UTC
Received 24 Oct 2026, 16:20:05 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631047
Run time 2 hours 18 min 53 sec
CPU time 1 hours 46 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,933.54 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.96 MB
Peak swap size 9.22 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:00:44 (31556): wrapper (7.9.26016): starting
23:00:44 (31556): 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
23:00:50 (31556): Library/usr/bin/tar.exe exited; CPU time 0.015625
23:00:50 (31556): 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
01:17:17 (31556): C:/Windows/system32/cmd.exe exited; CPU time 6405.453125
01:17:17 (31556): 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: 113506723 bytes.
Dumping objects ->
{3835555} normal block at 0x0000015627B84AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835544} normal block at 0x0000015627B85100, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835533} normal block at 0x0000015627B84F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835522} normal block at 0x0000015627B84D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835511} normal block at 0x0000015627B85090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835480} normal block at 0x0000015629B64DE0, 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) : {3835467} normal block at 0x0000015627B7E6E0, 8 bytes long.
 Data: <  &#177;'V   > 00 00 B1 27 56 01 00 00 
{3834045} normal block at 0x0000015627B7E730, 8 bytes long.
 Data: <  &#174;)V   > 00 ED AE 29 56 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000015627B81060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000015627B6EBA0, 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 0x0000015627B85580, 16 bytes long.
 Data: < d&#184;'V           > F8 64 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015627B85AD0, 16 bytes long.
 Data: <&#208;d&#184;'V           > D0 64 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000015627B7F650, 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 0x0000015627B85A80, 16 bytes long.
 Data: <&#168;d&#184;'V           > A8 64 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000015627B85260, 16 bytes long.
 Data: < d&#184;'V           > 80 64 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000015627B85210, 16 bytes long.
 Data: <Xd&#184;'V           > 58 64 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000015627B856C0, 16 bytes long.
 Data: <0d&#184;'V           > 30 64 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000015627B84D80, 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 0x0000015627B860C0, 16 bytes long.
 Data: <  &#183;'V           > F8 8B B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015627B7FA70, 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 0x0000015627B85F80, 16 bytes long.
 Data: <&#208; &#183;'V           > D0 8B B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015627B85E40, 16 bytes long.
 Data: <&#168; &#183;'V           > A8 8B B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015627B85EE0, 16 bytes long.
 Data: <  &#183;'V           > 80 8B B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000015627B85300, 16 bytes long.
 Data: <X &#183;'V           > 58 8B B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000015627B85DA0, 16 bytes long.
 Data: <0 &#183;'V           > 30 8B B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000015627B85D00, 16 bytes long.
 Data: <  &#183;'V           > 08 8B B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015627B80430, 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 0x0000015627B86110, 16 bytes long.
 Data: <  &#183;'V           > E0 8A B7 27 56 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000015627B78AE0, 320 bytes long.
 Data: < a&#184;'V   0 &#184;'V   > 10 61 B8 27 56 01 00 00 30 04 B8 27 56 01 00 00 
{273} normal block at 0x0000015627B85CB0, 16 bytes long.
 Data: < d&#184;'V           > 10 64 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000015627B85620, 16 bytes long.
 Data: < c&#184;'V           > E8 63 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000015627B80010, 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 0x0000015627B86020, 16 bytes long.
 Data: <&#192;c&#184;'V           > C0 63 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015627B80070, 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 0x0000015627B85F30, 16 bytes long.
 Data: < c&#184;'V           > 08 63 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015627B85D50, 16 bytes long.
 Data: < b&#184;'V           > E0 62 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000015627B85B20, 16 bytes long.
 Data: <&#184;b&#184;'V           > B8 62 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015627B85E90, 16 bytes long.
 Data: < b&#184;'V           > 90 62 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015627B85760, 16 bytes long.
 Data: <hb&#184;'V           > 68 62 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000015627B852B0, 16 bytes long.
 Data: <@b&#184;'V           > 40 62 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000015627B86070, 16 bytes long.
 Data: <&#176;O&#184;'V           > B0 4F B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000015627B84FB0, 40 bytes long.
 Data: <p`&#184;'V    M&#182;)V   > 70 60 B8 27 56 01 00 00 E0 4D B6 29 56 01 00 00 
{259} normal block at 0x0000015627B859E0, 16 bytes long.
 Data: < b&#184;'V           > 20 62 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000015627B855D0, 16 bytes long.
 Data: < a&#184;'V           > F8 61 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000015627B803D0, 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 0x0000015627B85FD0, 16 bytes long.
 Data: <&#208;a&#184;'V           > D0 61 B8 27 56 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000015627B861D0, 992 bytes long.
 Data: <&#208;_&#184;'V   &#208; &#184;'V   > D0 5F B8 27 56 01 00 00 D0 03 B8 27 56 01 00 00 
{91} normal block at 0x0000015627B7F7D0, 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 0x0000015627B7F220, 16 bytes long.
 Data: <  &#182;'V           > E0 E6 B6 27 56 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000015627B6E6E0, 40 bytes long.
 Data: <  &#183;'V   &#208; &#183;'V   > 20 F2 B7 27 56 01 00 00 D0 F7 B7 27 56 01 00 00 
{66} normal block at 0x0000015627B7F0E0, 16 bytes long.
 Data: <                > 80 EA 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000015627B7EB40, 16 bytes long.
 Data: <@               > 40 E9 01 FB F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000015627B7E960, 16 bytes long.
 Data: < W              > F8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000015627B7F450, 16 bytes long.
 Data: <&#216;W              > D8 57 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000015627B7EF50, 16 bytes long.
 Data: <P               > 50 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000015627B7EBE0, 16 bytes long.
 Data: <0               > 30 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000015627B7F4F0, 16 bytes long.
 Data: <                > E0 02 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000015627B7F1D0, 16 bytes long.
 Data: <                > 10 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000015627B7EB90, 16 bytes long.
 Data: <p               > 70 04 FE FA F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000015627B7EFA0, 16 bytes long.
 Data: < &#192;              > 18 C0 FC FA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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