Task 38689570

Name test_979-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND7790_0
Workunit 31630811
Created 28 Oct 2026, 21:52:50 UTC
Sent 28 Oct 2026, 21:53:01 UTC
Report deadline 2 Nov 2026, 21:53:01 UTC
Received 28 Oct 2026, 22:17:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 22 min 32 sec
CPU time 17 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.61 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:55:03 (25520): wrapper (7.9.26016): starting
14:55:03 (25520): 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
14:55:04 (25520): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:55:04 (25520): 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\1\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\1\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
15:16:41 (25520): C:/Windows/system32/cmd.exe exited; CPU time 1027.937500
15:16:41 (25520): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 20810567 bytes.
Dumping objects ->
{3835569} normal block at 0x0000016C141EDC00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x0000016C125E4CF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x0000016C125E4C80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x0000016C125E4AC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x0000016C125E4A50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x0000016C14239400, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x0000016C14160D50, 155 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) : {3835480} normal block at 0x0000016C125DEE40, 8 bytes long.
 Data: <  Z l   > 00 00 5A 12 6C 01 00 00 
{3834699} normal block at 0x0000016C141609D0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000016C125DF2A0, 8 bytes long.
 Data: < I) l   > 90 49 29 14 6C 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000016C125E0D20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016C125D6300, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000016C125E5A30, 16 bytes long.
 Data: <8f^ l           > 38 66 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016C125E53F0, 16 bytes long.
 Data: < f^ l           > 10 66 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000016C125DF9F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000016C125E5DA0, 16 bytes long.
 Data: <&#232;e^ l           > E8 65 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016C125E5620, 16 bytes long.
 Data: <&#192;e^ l           > C0 65 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016C125E5D00, 16 bytes long.
 Data: < e^ l           > 98 65 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016C125E55D0, 16 bytes long.
 Data: <pe^ l           > 70 65 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016C125E4E40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000016C125E53A0, 16 bytes long.
 Data: <H&#231;] l           > 48 E7 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016C125DFA50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000016C125E5990, 16 bytes long.
 Data: < &#231;] l           > 20 E7 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016C125E5940, 16 bytes long.
 Data: <&#248;&#230;] l           > F8 E6 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016C125E58A0, 16 bytes long.
 Data: <&#208;&#230;] l           > D0 E6 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016C125E5E40, 16 bytes long.
 Data: <&#168;&#230;] l           > A8 E6 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000016C125E6200, 16 bytes long.
 Data: < &#230;] l           > 80 E6 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016C125E5CB0, 16 bytes long.
 Data: <X&#230;] l           > 58 E6 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000016C125E0050, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000016C125E5EE0, 16 bytes long.
 Data: <0&#230;] l           > 30 E6 5D 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016C125DE630, 320 bytes long.
 Data: <&#224;^^ l   P ^ l   > E0 5E 5E 12 6C 01 00 00 50 00 5E 12 6C 01 00 00 
{276} normal block at 0x0000016C125E5580, 16 bytes long.
 Data: <Pe^ l           > 50 65 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016C125E5B20, 16 bytes long.
 Data: <(e^ l           > 28 65 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016C125E0170, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000016C125E6020, 16 bytes long.
 Data: < e^ l           > 00 65 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016C125DFDB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000016C125E5F80, 16 bytes long.
 Data: <Hd^ l           > 48 64 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016C125E61B0, 16 bytes long.
 Data: < d^ l           > 20 64 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016C125E5710, 16 bytes long.
 Data: <&#248;c^ l           > F8 63 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016C125E5FD0, 16 bytes long.
 Data: <&#208;c^ l           > D0 63 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016C125E56C0, 16 bytes long.
 Data: <&#168;c^ l           > A8 63 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016C125E5800, 16 bytes long.
 Data: < c^ l           > 80 63 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000016C125E62A0, 16 bytes long.
 Data: < H^ l           > 20 48 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016C125E4820, 40 bytes long.
 Data: <&#160;b^ l    &#148;# l   > A0 62 5E 12 6C 01 00 00 00 94 23 14 6C 01 00 00 
{262} normal block at 0x0000016C125E59E0, 16 bytes long.
 Data: <`c^ l           > 60 63 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016C125E5AD0, 16 bytes long.
 Data: <8c^ l           > 38 63 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016C125E02F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000016C125E5F30, 16 bytes long.
 Data: < c^ l           > 10 63 5E 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000016C125E6310, 992 bytes long.
 Data: <0_^ l   &#240; ^ l   > 30 5F 5E 12 6C 01 00 00 F0 02 5E 12 6C 01 00 00 
{94} normal block at 0x0000016C125DF870, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000016C125DEDF0, 16 bytes long.
 Data: <@&#212;\ l           > 40 D4 5C 12 6C 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000016C125CD440, 40 bytes long.
 Data: <&#240;&#237;] l   p&#248;] l   > F0 ED 5D 12 6C 01 00 00 70 F8 5D 12 6C 01 00 00 
{71} normal block at 0x0000016C125DEA80, 16 bytes long.
 Data: < &#234;9&#149;&#246;           > 80 EA 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016C125DF6B0, 16 bytes long.
 Data: <@&#233;9&#149;&#246;           > 40 E9 39 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000016C125DE800, 16 bytes long.
 Data: <&#248;W6&#149;&#246;           > F8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000016C125DEA30, 16 bytes long.
 Data: <&#216;W6&#149;&#246;           > D8 57 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000016C125DED50, 16 bytes long.
 Data: <P 6&#149;&#246;           > 50 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000016C125DED00, 16 bytes long.
 Data: <0 6&#149;&#246;           > 30 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000016C125DF160, 16 bytes long.
 Data: <&#224; 6&#149;&#246;           > E0 02 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000016C125DEBC0, 16 bytes long.
 Data: <  6&#149;&#246;           > 10 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016C125DEFD0, 16 bytes long.
 Data: <p 6&#149;&#246;           > 70 04 36 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016C125DE8F0, 16 bytes long.
 Data: < &#192;4&#149;&#246;           > 18 C0 34 95 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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