Task 38646959

Name test_187-GPUGRID_TEST_ATM_500_20261023-0-1-RND2170_1
Workunit 31590524
Created 23 Oct 2026, 17:33:27 UTC
Sent 23 Oct 2026, 18:24:40 UTC
Report deadline 28 Oct 2026, 18:24:40 UTC
Received 23 Oct 2026, 20:27:28 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 30 min 33 sec
CPU time 28 min 23 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 708.30 MB
Peak swap size 6.86 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
21:58:10 (19316): wrapper (7.9.26016): starting
21:58:10 (19316): 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
21:58:12 (19316): Library/usr/bin/tar.exe exited; CPU time 0.093750
21:58:12 (19316): 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\18\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\18\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
22:27:09 (19316): C:/Windows/system32/cmd.exe exited; CPU time 1703.578125
22:27:09 (19316): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 30065427 bytes.
Dumping objects ->
{3835240} normal block at 0x000001B7849347A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001B784934650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001B7849345E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000001B784934570, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001B784934490, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000001B7866A9D20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001B7849803E0, 144 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) : {3835151} normal block at 0x000001B78492DDB0, 8 bytes long.
 Data: <  &#228;&#132;&#183;   > 00 00 E4 84 B7 01 00 00 
{3834552} normal block at 0x000001B784980DA0, 144 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 0x000001B78492E3A0, 8 bytes long.
 Data: < &#214;&#145;&#132;&#183;   > 90 D6 91 84 B7 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B784930AA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B7849257A0, 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 0x000001B7849353A0, 16 bytes long.
 Data: <H]&#147;&#132;&#183;           > 48 5D 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B784935120, 16 bytes long.
 Data: < ]&#147;&#132;&#183;           > 20 5D 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B78492FAB0, 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 0x000001B784934CC0, 16 bytes long.
 Data: <&#248;\&#147;&#132;&#183;           > F8 5C 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B7849357B0, 16 bytes long.
 Data: <&#208;\&#147;&#132;&#183;           > D0 5C 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B7849350D0, 16 bytes long.
 Data: <&#168;\&#147;&#132;&#183;           > A8 5C 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B784935710, 16 bytes long.
 Data: < \&#147;&#132;&#183;           > 80 5C 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B7849340A0, 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 0x000001B784934B80, 16 bytes long.
 Data: <H&#180;&#145;&#132;&#183;           > 48 B4 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B78492EDF0, 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 0x000001B7849354E0, 16 bytes long.
 Data: < &#180;&#145;&#132;&#183;           > 20 B4 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B784935490, 16 bytes long.
 Data: <&#248;&#179;&#145;&#132;&#183;           > F8 B3 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B7849355D0, 16 bytes long.
 Data: <&#208;&#179;&#145;&#132;&#183;           > D0 B3 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B784935580, 16 bytes long.
 Data: <&#168;&#179;&#145;&#132;&#183;           > A8 B3 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B784935080, 16 bytes long.
 Data: < &#179;&#145;&#132;&#183;           > 80 B3 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B784934AE0, 16 bytes long.
 Data: <X&#179;&#145;&#132;&#183;           > 58 B3 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B78492EF10, 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 0x000001B784934A90, 16 bytes long.
 Data: <0&#179;&#145;&#132;&#183;           > 30 B3 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B78491B330, 320 bytes long.
 Data: < J&#147;&#132;&#183;    &#239;&#146;&#132;&#183;   > 90 4A 93 84 B7 01 00 00 10 EF 92 84 B7 01 00 00 
{274} normal block at 0x000001B7849349F0, 16 bytes long.
 Data: <`\&#147;&#132;&#183;           > 60 5C 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B784934EF0, 16 bytes long.
 Data: <8\&#147;&#132;&#183;           > 38 5C 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B78492F150, 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 0x000001B784935260, 16 bytes long.
 Data: < \&#147;&#132;&#183;           > 10 5C 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B78492F870, 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 0x000001B784934C70, 16 bytes long.
 Data: <X[&#147;&#132;&#183;           > 58 5B 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B784934E50, 16 bytes long.
 Data: <0[&#147;&#132;&#183;           > 30 5B 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B7849353F0, 16 bytes long.
 Data: < [&#147;&#132;&#183;           > 08 5B 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B784934B30, 16 bytes long.
 Data: <&#224;Z&#147;&#132;&#183;           > E0 5A 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B784935030, 16 bytes long.
 Data: <&#184;Z&#147;&#132;&#183;           > B8 5A 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B784935350, 16 bytes long.
 Data: < Z&#147;&#132;&#183;           > 90 5A 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B784935530, 16 bytes long.
 Data: <`B&#147;&#132;&#183;           > 60 42 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B784934260, 40 bytes long.
 Data: <0U&#147;&#132;&#183;     j&#134;&#183;   > 30 55 93 84 B7 01 00 00 20 9D 6A 86 B7 01 00 00 
{260} normal block at 0x000001B7849356C0, 16 bytes long.
 Data: <pZ&#147;&#132;&#183;           > 70 5A 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B784934F90, 16 bytes long.
 Data: <HZ&#147;&#132;&#183;           > 48 5A 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B78492ED30, 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 0x000001B784934950, 16 bytes long.
 Data: < Z&#147;&#132;&#183;           > 20 5A 93 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B784935A20, 992 bytes long.
 Data: <PI&#147;&#132;&#183;   0&#237;&#146;&#132;&#183;   > 50 49 93 84 B7 01 00 00 30 ED 92 84 B7 01 00 00 
{92} normal block at 0x000001B78492FBD0, 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 0x000001B78492DD60, 16 bytes long.
 Data: < &#198;&#145;&#132;&#183;           > 00 C6 91 84 B7 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B78491C600, 40 bytes long.
 Data: <`&#221;&#146;&#132;&#183;   &#208;&#251;&#146;&#132;&#183;   > 60 DD 92 84 B7 01 00 00 D0 FB 92 84 B7 01 00 00 
{69} normal block at 0x000001B78492E170, 16 bytes long.
 Data: < &#234;V &#247;           > 80 EA 56 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B78492E850, 16 bytes long.
 Data: <@&#233;V &#247;           > 40 E9 56 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B78492DCC0, 16 bytes long.
 Data: <&#248;WS &#247;           > F8 57 53 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B78492E3F0, 16 bytes long.
 Data: <&#216;WS &#247;           > D8 57 53 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B78492E5D0, 16 bytes long.
 Data: <P S &#247;           > 50 04 53 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B78492E120, 16 bytes long.
 Data: <0 S &#247;           > 30 04 53 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B78492E670, 16 bytes long.
 Data: <&#224; S &#247;           > E0 02 53 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B78492E620, 16 bytes long.
 Data: <  S &#247;           > 10 04 53 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B78492DD10, 16 bytes long.
 Data: <p S &#247;           > 70 04 53 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B78492EAD0, 16 bytes long.
 Data: < &#192;Q &#247;           > 18 C0 51 0B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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