Task 38677687

Name test_478-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND5382_1
Workunit 31618606
Created 26 Oct 2026, 15:06:32 UTC
Sent 26 Oct 2026, 15:06:37 UTC
Report deadline 31 Oct 2026, 15:06:37 UTC
Received 26 Oct 2026, 17:01:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651831
Run time 30 min 57 sec
CPU time 28 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,472.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.27 MB
Peak swap size 12.94 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:31:20 (4128): wrapper (7.9.26016): starting
12:31:20 (4128): 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
12:31:23 (4128): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:31:23 (4128): 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\30\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\30\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
13:01:07 (4128): C:/Windows/system32/cmd.exe exited; CPU time 1712.312500
13:01:07 (4128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 31008671 bytes.
Dumping objects ->
{3835536} normal block at 0x000002E57B75D230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000002E5799F4E00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000002E5799F4D90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835503} normal block at 0x000002E5799F4A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x000002E5799F4A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835461} normal block at 0x000002E57B7A5DC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835450} normal block at 0x000002E579A5A1A0, 140 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) : {3835447} normal block at 0x000002E5799EF130, 8 bytes long.
 Data: <  &#155;y&#229;   > 00 00 9B 79 E5 02 00 00 
{3834695} normal block at 0x000002E579A5AA90, 140 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 0x000002E5799EEA50, 8 bytes long.
 Data: <`S&#131;{&#229;   > 60 53 83 7B E5 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002E5799F1330, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002E5799E61B0, 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 0x000002E5799F60E0, 16 bytes long.
 Data: <Hg&#159;y&#229;           > 48 67 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002E5799F5550, 16 bytes long.
 Data: < g&#159;y&#229;           > 20 67 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002E5799F0220, 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 0x000002E5799F5500, 16 bytes long.
 Data: <&#248;f&#159;y&#229;           > F8 66 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002E5799F5AF0, 16 bytes long.
 Data: <&#208;f&#159;y&#229;           > D0 66 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002E5799F61D0, 16 bytes long.
 Data: <&#168;f&#159;y&#229;           > A8 66 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002E5799F54B0, 16 bytes long.
 Data: < f&#159;y&#229;           > 80 66 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002E5799F4F50, 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 0x000002E5799F5460, 16 bytes long.
 Data: <&#168;&#231;&#158;y&#229;           > A8 E7 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002E5799F0460, 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 0x000002E5799F5BE0, 16 bytes long.
 Data: < &#231;&#158;y&#229;           > 80 E7 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002E5799F5730, 16 bytes long.
 Data: <X&#231;&#158;y&#229;           > 58 E7 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002E5799F5CD0, 16 bytes long.
 Data: <0&#231;&#158;y&#229;           > 30 E7 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002E5799F63B0, 16 bytes long.
 Data: < &#231;&#158;y&#229;           > 08 E7 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002E5799F6090, 16 bytes long.
 Data: <&#224;&#230;&#158;y&#229;           > E0 E6 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002E5799F5820, 16 bytes long.
 Data: <&#184;&#230;&#158;y&#229;           > B8 E6 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002E5799EFCE0, 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 0x000002E5799F6180, 16 bytes long.
 Data: < &#230;&#158;y&#229;           > 90 E6 9E 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002E5799EE690, 320 bytes long.
 Data: < a&#159;y&#229;   &#224;&#252;&#158;y&#229;   > 80 61 9F 79 E5 02 00 00 E0 FC 9E 79 E5 02 00 00 
{277} normal block at 0x000002E5799F5DC0, 16 bytes long.
 Data: <`f&#159;y&#229;           > 60 66 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002E5799F59B0, 16 bytes long.
 Data: <8f&#159;y&#229;           > 38 66 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002E5799EFAA0, 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 0x000002E5799F5690, 16 bytes long.
 Data: < f&#159;y&#229;           > 10 66 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002E5799EFC80, 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 0x000002E5799F5B40, 16 bytes long.
 Data: <Xe&#159;y&#229;           > 58 65 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002E5799F6130, 16 bytes long.
 Data: <0e&#159;y&#229;           > 30 65 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002E5799F6310, 16 bytes long.
 Data: < e&#159;y&#229;           > 08 65 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002E5799F6270, 16 bytes long.
 Data: <&#224;d&#159;y&#229;           > E0 64 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002E5799F62C0, 16 bytes long.
 Data: <&#184;d&#159;y&#229;           > B8 64 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002E5799F55F0, 16 bytes long.
 Data: < d&#159;y&#229;           > 90 64 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002E5799F6220, 16 bytes long.
 Data: <&#160;I&#159;y&#229;           > A0 49 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002E5799F49A0, 40 bytes long.
 Data: < b&#159;y&#229;   &#192;]z{&#229;   > 20 62 9F 79 E5 02 00 00 C0 5D 7A 7B E5 02 00 00 
{263} normal block at 0x000002E5799F5D70, 16 bytes long.
 Data: <pd&#159;y&#229;           > 70 64 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002E5799F5EB0, 16 bytes long.
 Data: <Hd&#159;y&#229;           > 48 64 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002E5799F0700, 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 0x000002E5799F5C80, 16 bytes long.
 Data: < d&#159;y&#229;           > 20 64 9F 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002E5799F6420, 992 bytes long.
 Data: < \&#159;y&#229;     &#159;y&#229;   > 80 5C 9F 79 E5 02 00 00 00 07 9F 79 E5 02 00 00 
{95} normal block at 0x000002E5799F0640, 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 0x000002E5799EE960, 16 bytes long.
 Data: <@&#212; y&#229;           > 40 D4 9D 79 E5 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002E5799DD440, 40 bytes long.
 Data: <`&#233;&#158;y&#229;   @ &#159;y&#229;   > 60 E9 9E 79 E5 02 00 00 40 06 9F 79 E5 02 00 00 
{72} normal block at 0x000002E5799EF860, 16 bytes long.
 Data: < &#234; &#173;&#247;           > 80 EA 0C AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002E5799EF2C0, 16 bytes long.
 Data: <@&#233; &#173;&#247;           > 40 E9 0C AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002E5799EEE60, 16 bytes long.
 Data: <&#248;W	&#173;&#247;           > F8 57 09 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002E5799EF540, 16 bytes long.
 Data: <&#216;W	&#173;&#247;           > D8 57 09 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002E5799EF270, 16 bytes long.
 Data: <P 	&#173;&#247;           > 50 04 09 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002E5799EEA00, 16 bytes long.
 Data: <0 	&#173;&#247;           > 30 04 09 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002E5799EF720, 16 bytes long.
 Data: <&#224; 	&#173;&#247;           > E0 02 09 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002E5799EEC30, 16 bytes long.
 Data: <  	&#173;&#247;           > 10 04 09 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002E5799EF7C0, 16 bytes long.
 Data: <p 	&#173;&#247;           > 70 04 09 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002E5799EEAA0, 16 bytes long.
 Data: < &#192; &#173;&#247;           > 18 C0 07 AD F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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