Task 38663391

Name test_665-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8929_0
Workunit 31606601
Created 24 Oct 2026, 21:54:54 UTC
Sent 24 Oct 2026, 21:54:58 UTC
Report deadline 29 Oct 2026, 21:54:58 UTC
Received 24 Oct 2026, 22:59:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 58 min 48 sec
CPU time 48 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.25 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:56:23 (5036): wrapper (7.9.26016): starting
14:56:23 (5036): 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
14:56:30 (5036): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:56:30 (5036): 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\3\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\3\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
15:58:31 (5036): C:/Windows/system32/cmd.exe exited; CPU time 2913.921875
15:58:31 (5036): 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: 47365021 bytes.
Dumping objects ->
{3835561} normal block at 0x0000024E2ADDE350, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x0000024E29066140, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x0000024E29066450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x0000024E290663E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x0000024E29066060, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x0000024E2AE28410, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x0000024E2AE3FF80, 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) : {3835472} normal block at 0x0000024E29060170, 8 bytes long.
 Data: <  V)N   > 00 00 56 29 4E 02 00 00 
{3834691} normal block at 0x0000024E2AE3FB60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000024E290601C0, 8 bytes long.
 Data: <0X )N   > 30 58 06 29 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024E290622D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024E29057690, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000024E29066B20, 16 bytes long.
 Data: <&#232;z )N           > E8 7A 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024E29066CB0, 16 bytes long.
 Data: <&#192;z )N           > C0 7A 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024E29061E00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000024E290676B0, 16 bytes long.
 Data: < z )N           > 98 7A 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024E29066D00, 16 bytes long.
 Data: <pz )N           > 70 7A 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024E29066EE0, 16 bytes long.
 Data: <Hz )N           > 48 7A 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024E29066AD0, 16 bytes long.
 Data: < z )N           > 20 7A 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024E29066220, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000024E29067200, 16 bytes long.
 Data: <&#184;  )N           > B8 08 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024E29061BC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000024E29066B70, 16 bytes long.
 Data: <   )N           > 90 08 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024E29067430, 16 bytes long.
 Data: <h  )N           > 68 08 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024E29067660, 16 bytes long.
 Data: <@  )N           > 40 08 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024E29066E90, 16 bytes long.
 Data: <   )N           > 18 08 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024E29066E40, 16 bytes long.
 Data: <&#240;  )N           > F0 07 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024E29067020, 16 bytes long.
 Data: <&#200;  )N           > C8 07 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024E29061B60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000024E290674D0, 16 bytes long.
 Data: <&#160;  )N           > A0 07 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024E290507A0, 320 bytes long.
 Data: <&#208;t )N   `  )N   > D0 74 06 29 4E 02 00 00 60 1B 06 29 4E 02 00 00 
{277} normal block at 0x0000024E29066C60, 16 bytes long.
 Data: < z )N           > 00 7A 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024E29066A80, 16 bytes long.
 Data: <&#216;y )N           > D8 79 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024E290612C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000024E290672A0, 16 bytes long.
 Data: <&#176;y )N           > B0 79 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024E29061980, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000024E29066990, 16 bytes long.
 Data: <&#248;x )N           > F8 78 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024E290671B0, 16 bytes long.
 Data: <&#208;x )N           > D0 78 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024E29066DA0, 16 bytes long.
 Data: <&#168;x )N           > A8 78 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024E290675C0, 16 bytes long.
 Data: < x )N           > 80 78 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024E29066C10, 16 bytes long.
 Data: <Xx )N           > 58 78 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024E29066850, 16 bytes long.
 Data: <0x )N           > 30 78 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024E29066DF0, 16 bytes long.
 Data: <&#176;a )N           > B0 61 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024E290661B0, 40 bytes long.
 Data: <&#240;m )N    &#132;&#226;*N   > F0 6D 06 29 4E 02 00 00 10 84 E2 2A 4E 02 00 00 
{263} normal block at 0x0000024E29066D50, 16 bytes long.
 Data: < x )N           > 10 78 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024E29066800, 16 bytes long.
 Data: <&#232;w )N           > E8 77 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024E29061C20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000024E29066BC0, 16 bytes long.
 Data: <&#192;w )N           > C0 77 06 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024E290677C0, 992 bytes long.
 Data: <&#192;k )N      )N   > C0 6B 06 29 4E 02 00 00 20 1C 06 29 4E 02 00 00 
{95} normal block at 0x0000024E290615C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000024E2905FF90, 16 bytes long.
 Data: <0  )N           > 30 07 05 29 4E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024E29050730, 40 bytes long.
 Data: < &#255; )N   &#192;  )N   > 90 FF 05 29 4E 02 00 00 C0 15 06 29 4E 02 00 00 
{72} normal block at 0x0000024E29060AD0, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024E290602B0, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024E290606C0, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024E29060210, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024E29060D50, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024E29060BC0, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024E29060940, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024E29060C60, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024E290600D0, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024E290603F0, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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