Task 38675251

Name test_86-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4656_0
Workunit 31617233
Created 26 Oct 2026, 7:44:03 UTC
Sent 26 Oct 2026, 7:44:07 UTC
Report deadline 31 Oct 2026, 7:44:07 UTC
Received 26 Oct 2026, 8:21:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627058
Run time 34 min 5 sec
CPU time 31 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,795.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 758.03 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
08:44:45 (22688): wrapper (7.9.26016): starting
08:44:45 (22688): 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
08:44:47 (22688): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:44:47 (22688): 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\65\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\65\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
09:20:14 (22688): C:/Windows/system32/cmd.exe exited; CPU time 1871.906250
09:20:14 (22688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 44270033 bytes.
Dumping objects ->
{3835524} normal block at 0x000001ED0D4CAD60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835513} normal block at 0x000001ED0D4CACF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001ED0B7251E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835491} normal block at 0x000001ED0B725100, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835480} normal block at 0x000001ED0B724D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835449} normal block at 0x000001ED0D4B94C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835436} normal block at 0x000001ED0B71E570, 8 bytes long.
 Data: <  &#189; &#237;   > 00 00 BD 0B ED 01 00 00 
{3833967} normal block at 0x000001ED0B71E2F0, 8 bytes long.
 Data: < &#228;L &#237;   > 00 E4 4C 0D ED 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001ED0B7211F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001ED0B7167F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001ED0B725B10, 16 bytes long.
 Data: <(kr &#237;           > 28 6B 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001ED0B726790, 16 bytes long.
 Data: < kr &#237;           > 00 6B 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001ED0B71FD40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001ED0B726740, 16 bytes long.
 Data: <&#216;jr &#237;           > D8 6A 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001ED0B7258E0, 16 bytes long.
 Data: <&#176;jr &#237;           > B0 6A 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001ED0B726060, 16 bytes long.
 Data: < jr &#237;           > 88 6A 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001ED0B725A20, 16 bytes long.
 Data: <`jr &#237;           > 60 6A 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001ED0B724ED0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001ED0B7261F0, 16 bytes long.
 Data: <X&#240;q &#237;           > 58 F0 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001ED0B71F320, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001ED0B7259D0, 16 bytes long.
 Data: <0&#240;q &#237;           > 30 F0 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001ED0B726010, 16 bytes long.
 Data: < &#240;q &#237;           > 08 F0 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001ED0B725AC0, 16 bytes long.
 Data: <&#224;&#239;q &#237;           > E0 EF 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001ED0B726650, 16 bytes long.
 Data: <&#184;&#239;q &#237;           > B8 EF 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001ED0B725C50, 16 bytes long.
 Data: < &#239;q &#237;           > 90 EF 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001ED0B726600, 16 bytes long.
 Data: <h&#239;q &#237;           > 68 EF 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001ED0B71F680, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001ED0B725D90, 16 bytes long.
 Data: <@&#239;q &#237;           > 40 EF 71 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001ED0B71EF40, 320 bytes long.
 Data: < ]r &#237;    &#246;q &#237;   > 90 5D 72 0B ED 01 00 00 80 F6 71 0B ED 01 00 00 
{279} normal block at 0x000001ED0B725FC0, 16 bytes long.
 Data: <@jr &#237;           > 40 6A 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001ED0B725C00, 16 bytes long.
 Data: < jr &#237;           > 18 6A 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001ED0B71FFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001ED0B7261A0, 16 bytes long.
 Data: <&#240;ir &#237;           > F0 69 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001ED0B71F200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001ED0B726100, 16 bytes long.
 Data: <8ir &#237;           > 38 69 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001ED0B7263D0, 16 bytes long.
 Data: < ir &#237;           > 10 69 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001ED0B725980, 16 bytes long.
 Data: <&#232;hr &#237;           > E8 68 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001ED0B726150, 16 bytes long.
 Data: <&#192;hr &#237;           > C0 68 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001ED0B7265B0, 16 bytes long.
 Data: < hr &#237;           > 98 68 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001ED0B726240, 16 bytes long.
 Data: <phr &#237;           > 70 68 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001ED0B725930, 16 bytes long.
 Data: <0Lr &#237;           > 30 4C 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001ED0B724C30, 40 bytes long.
 Data: <0Yr &#237;   &#192;&#148;K &#237;   > 30 59 72 0B ED 01 00 00 C0 94 4B 0D ED 01 00 00 
{265} normal block at 0x000001ED0B725ED0, 16 bytes long.
 Data: <Phr &#237;           > 50 68 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001ED0B725F70, 16 bytes long.
 Data: <(hr &#237;           > 28 68 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001ED0B71F560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001ED0B7264C0, 16 bytes long.
 Data: < hr &#237;           > 00 68 72 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001ED0B726800, 992 bytes long.
 Data: <&#192;dr &#237;   `&#245;q &#237;   > C0 64 72 0B ED 01 00 00 60 F5 71 0B ED 01 00 00 
{97} normal block at 0x000001ED0B71FAA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001ED0B71DB70, 16 bytes long.
 Data: <&#192;&#215;p &#237;           > C0 D7 70 0B ED 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001ED0B70D7C0, 40 bytes long.
 Data: <p&#219;q &#237;   &#160;&#250;q &#237;   > 70 DB 71 0B ED 01 00 00 A0 FA 71 0B ED 01 00 00 
{74} normal block at 0x000001ED0B71E110, 16 bytes long.
 Data: < &#234;&#135;d&#246;           > 80 EA 87 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001ED0B71E480, 16 bytes long.
 Data: <@&#233;&#135;d&#246;           > 40 E9 87 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001ED0B71DC60, 16 bytes long.
 Data: <&#248;W&#132;d&#246;           > F8 57 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001ED0B71E0C0, 16 bytes long.
 Data: <&#216;W&#132;d&#246;           > D8 57 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001ED0B71DE40, 16 bytes long.
 Data: <P &#132;d&#246;           > 50 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001ED0B71DAD0, 16 bytes long.
 Data: <0 &#132;d&#246;           > 30 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001ED0B71E430, 16 bytes long.
 Data: <&#224; &#132;d&#246;           > E0 02 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001ED0B71E2A0, 16 bytes long.
 Data: <  &#132;d&#246;           > 10 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001ED0B71E160, 16 bytes long.
 Data: <p &#132;d&#246;           > 70 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001ED0B71D9E0, 16 bytes long.
 Data: < &#192;&#130;d&#246;           > 18 C0 82 64 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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