Task 38668078

Name test_655-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND9370_0
Workunit 31610640
Created 25 Oct 2026, 10:34:52 UTC
Sent 25 Oct 2026, 10:34:56 UTC
Report deadline 30 Oct 2026, 10:34:56 UTC
Received 25 Oct 2026, 14:01:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643074
Run time 3 hours 19 min 38 sec
CPU time 2 hours 34 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.68 MB
Peak swap size 3.09 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:42:48 (7740): wrapper (7.9.26016): starting
11:42:48 (7740): 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
11:42:50 (7740): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:42:50 (7740): 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
15:00:32 (7740): C:/Windows/system32/cmd.exe exited; CPU time 9276.281250
15:00:32 (7740): 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: 184139857 bytes.
Dumping objects ->
{3835267} normal block at 0x00000109E81D5AB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x00000109E81D5D50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000109E81D5CE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835234} normal block at 0x00000109E81D5A40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x00000109E81D59D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835192} normal block at 0x00000109E9DEBA70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835181} normal block at 0x00000109E9E00180, 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) : {3835178} normal block at 0x00000109E81D0610, 8 bytes long.
 Data: <   &#232;	   > 00 00 18 E8 09 01 00 00 
{3834559} normal block at 0x00000109E9DFFD60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000109E81D00C0, 8 bytes long.
 Data: <0[&#231;&#233;	   > 30 5B E7 E9 09 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000109E81D1FD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000109E81C7120, 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 0x00000109E81D7640, 16 bytes long.
 Data: <&#232;f &#232;	           > E8 66 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000109E81D68D0, 16 bytes long.
 Data: <&#192;f &#232;	           > C0 66 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000109E81CE750, 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 0x00000109E81D6A60, 16 bytes long.
 Data: < f &#232;	           > 98 66 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000109E81D6A10, 16 bytes long.
 Data: <pf &#232;	           > 70 66 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000109E81D74B0, 16 bytes long.
 Data: <Hf &#232;	           > 48 66 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000109E81D7140, 16 bytes long.
 Data: < f &#232;	           > 20 66 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000109E81D5880, 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 0x00000109E81D70F0, 16 bytes long.
 Data: < &#250; &#232;	           > 88 FA 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000109E81CE390, 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 0x00000109E81D6880, 16 bytes long.
 Data: <`&#250; &#232;	           > 60 FA 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000109E81D75F0, 16 bytes long.
 Data: <8&#250; &#232;	           > 38 FA 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000109E81D6DD0, 16 bytes long.
 Data: < &#250; &#232;	           > 10 FA 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000109E81D6BA0, 16 bytes long.
 Data: <&#232;&#249; &#232;	           > E8 F9 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000109E81D6970, 16 bytes long.
 Data: <&#192;&#249; &#232;	           > C0 F9 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000109E81D6C40, 16 bytes long.
 Data: < &#249; &#232;	           > 98 F9 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000109E81CEA50, 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 0x00000109E81D7370, 16 bytes long.
 Data: <p&#249; &#232;	           > 70 F9 1C E8 09 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000109E81CF970, 320 bytes long.
 Data: <ps &#232;	   P&#234; &#232;	   > 70 73 1D E8 09 01 00 00 50 EA 1C E8 09 01 00 00 
{274} normal block at 0x00000109E81D70A0, 16 bytes long.
 Data: < f &#232;	           > 00 66 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000109E81D6830, 16 bytes long.
 Data: <&#216;e &#232;	           > D8 65 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000109E81CE9F0, 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 0x00000109E81D7460, 16 bytes long.
 Data: <&#176;e &#232;	           > B0 65 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000109E81CE930, 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 0x00000109E81D7550, 16 bytes long.
 Data: <&#248;d &#232;	           > F8 64 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000109E81D7780, 16 bytes long.
 Data: <&#208;d &#232;	           > D0 64 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000109E81D7000, 16 bytes long.
 Data: <&#168;d &#232;	           > A8 64 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000109E81D7050, 16 bytes long.
 Data: < d &#232;	           > 80 64 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000109E81D7230, 16 bytes long.
 Data: <Xd &#232;	           > 58 64 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000109E81D0890, 16 bytes long.
 Data: <0d &#232;	           > 30 64 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000109E81D07F0, 16 bytes long.
 Data: < \ &#232;	           > 00 5C 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000109E81D5C00, 40 bytes long.
 Data: <&#240;  &#232;	   p&#186;&#222;&#233;	   > F0 07 1D E8 09 01 00 00 70 BA DE E9 09 01 00 00 
{260} normal block at 0x00000109E81D06B0, 16 bytes long.
 Data: < d &#232;	           > 10 64 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000109E81D0660, 16 bytes long.
 Data: <&#232;c &#232;	           > E8 63 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000109E81CED50, 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 0x00000109E81D0390, 16 bytes long.
 Data: <&#192;c &#232;	           > C0 63 1D E8 09 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000109E81D63C0, 992 bytes long.
 Data: <   &#232;	   P&#237; &#232;	   > 90 03 1D E8 09 01 00 00 50 ED 1C E8 09 01 00 00 
{92} normal block at 0x00000109E81CE810, 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 0x00000109E81CFE90, 16 bytes long.
 Data: <&#160;&#205; &#232;	           > A0 CD 1B E8 09 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000109E81BCDA0, 40 bytes long.
 Data: < &#254; &#232;	    &#232; &#232;	   > 90 FE 1C E8 09 01 00 00 10 E8 1C E8 09 01 00 00 
{69} normal block at 0x00000109E81D0070, 16 bytes long.
 Data: < &#234;&#236; &#246;           > 80 EA EC 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000109E81CFC10, 16 bytes long.
 Data: <@&#233;&#236; &#246;           > 40 E9 EC 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000109E81D0570, 16 bytes long.
 Data: <&#248;W&#233; &#246;           > F8 57 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000109E81D0840, 16 bytes long.
 Data: <&#216;W&#233; &#246;           > D8 57 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000109E81CFFD0, 16 bytes long.
 Data: <P &#233; &#246;           > 50 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000109E81D02A0, 16 bytes long.
 Data: <0 &#233; &#246;           > 30 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000109E81D02F0, 16 bytes long.
 Data: <&#224; &#233; &#246;           > E0 02 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000109E81D0980, 16 bytes long.
 Data: <  &#233; &#246;           > 10 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000109E81D0520, 16 bytes long.
 Data: <p &#233; &#246;           > 70 04 E9 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000109E81D04D0, 16 bytes long.
 Data: < &#192;&#231; &#246;           > 18 C0 E7 03 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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