Task 38671889

Name test_559-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4092_0
Workunit 31614071
Created 25 Oct 2026, 21:52:50 UTC
Sent 25 Oct 2026, 21:52:58 UTC
Report deadline 30 Oct 2026, 21:52:58 UTC
Received 25 Oct 2026, 22:37:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629206
Run time 40 min 38 sec
CPU time 40 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.55 MB
Peak swap size 5.36 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:54:48 (10140): wrapper (7.9.26016): starting
21:54:48 (10140): 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
21:54:49 (10140): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:54:49 (10140): 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\0\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\0\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
22:36:57 (10140): C:/Windows/system32/cmd.exe exited; CPU time 2438.234375
22:36:57 (10140): 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: 49722771 bytes.
Dumping objects ->
{3835612} normal block at 0x0000022C5E7A0780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x0000022C5E79FF30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x0000022C5E79FEC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835579} normal block at 0x0000022C5CAB4B80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835568} normal block at 0x0000022C5CAB4CD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835537} normal block at 0x0000022C5E818CC0, 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) : {3835524} normal block at 0x0000022C5CAAF660, 8 bytes long.
 Data: <  &#248;\,   > 00 00 F8 5C 2C 02 00 00 
{3833967} normal block at 0x0000022C5CAAEE40, 8 bytes long.
 Data: <p&#241;y^,   > 70 F1 79 5E 2C 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000022C5CAB0EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022C5CAA6670, 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 0x0000022C5CAB5940, 16 bytes long.
 Data: < f&#171;\,           > 88 66 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022C5CAB5A80, 16 bytes long.
 Data: <`f&#171;\,           > 60 66 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022C5CAB0760, 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 0x0000022C5CAB5580, 16 bytes long.
 Data: <8f&#171;\,           > 38 66 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022C5CAB6160, 16 bytes long.
 Data: < f&#171;\,           > 10 66 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022C5CAB5530, 16 bytes long.
 Data: <&#232;e&#171;\,           > E8 65 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022C5CAB6110, 16 bytes long.
 Data: <&#192;e&#171;\,           > C0 65 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022C5CAB4870, 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 0x0000022C5CAB5C60, 16 bytes long.
 Data: <&#168;&#230;&#169;\,           > A8 E6 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022C5CAB00A0, 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 0x0000022C5CAB55D0, 16 bytes long.
 Data: < &#230;&#169;\,           > 80 E6 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022C5CAB6070, 16 bytes long.
 Data: <X&#230;&#169;\,           > 58 E6 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022C5CAB61B0, 16 bytes long.
 Data: <0&#230;&#169;\,           > 30 E6 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022C5CAB5FD0, 16 bytes long.
 Data: < &#230;&#169;\,           > 08 E6 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022C5CAB5F80, 16 bytes long.
 Data: <&#224;&#229;&#169;\,           > E0 E5 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022C5CAB5B20, 16 bytes long.
 Data: <&#184;&#229;&#169;\,           > B8 E5 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022C5CAAFEC0, 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 0x0000022C5CAB5F30, 16 bytes long.
 Data: < &#229;&#169;\,           > 90 E5 A9 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022C5CA9E590, 320 bytes long.
 Data: <0_&#171;\,   &#192;&#254;&#170;\,   > 30 5F AB 5C 2C 02 00 00 C0 FE AA 5C 2C 02 00 00 
{279} normal block at 0x0000022C5CAB5D00, 16 bytes long.
 Data: <&#160;e&#171;\,           > A0 65 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022C5CAB5EE0, 16 bytes long.
 Data: <xe&#171;\,           > 78 65 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022C5CAB0160, 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 0x0000022C5CAB5A30, 16 bytes long.
 Data: <Pe&#171;\,           > 50 65 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022C5CAAFE00, 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 0x0000022C5CAB5E90, 16 bytes long.
 Data: < d&#171;\,           > 98 64 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022C5CAB5620, 16 bytes long.
 Data: <pd&#171;\,           > 70 64 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022C5CAB5E40, 16 bytes long.
 Data: <Hd&#171;\,           > 48 64 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022C5CAB5D50, 16 bytes long.
 Data: < d&#171;\,           > 20 64 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022C5CAB5CB0, 16 bytes long.
 Data: <&#248;c&#171;\,           > F8 63 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022C5CAB5440, 16 bytes long.
 Data: <&#208;c&#171;\,           > D0 63 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022C5CAB5DA0, 16 bytes long.
 Data: < N&#171;\,           > 90 4E AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022C5CAB4E90, 40 bytes long.
 Data: <&#160;]&#171;\,   &#192;&#140; ^,   > A0 5D AB 5C 2C 02 00 00 C0 8C 81 5E 2C 02 00 00 
{265} normal block at 0x0000022C5CAB58F0, 16 bytes long.
 Data: <&#176;c&#171;\,           > B0 63 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022C5CAB5DF0, 16 bytes long.
 Data: < c&#171;\,           > 88 63 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022C5CAB0640, 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 0x0000022C5CAB56C0, 16 bytes long.
 Data: <`c&#171;\,           > 60 63 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022C5CAB6360, 992 bytes long.
 Data: <&#192;V&#171;\,   @ &#171;\,   > C0 56 AB 5C 2C 02 00 00 40 06 AB 5C 2C 02 00 00 
{97} normal block at 0x0000022C5CAB0700, 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 0x0000022C5CAAECB0, 16 bytes long.
 Data: < H&#171;\,           > 00 48 AB 5C 2C 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000022C5CAB4800, 40 bytes long.
 Data: <&#176;&#236;&#170;\,     &#171;\,   > B0 EC AA 5C 2C 02 00 00 00 07 AB 5C 2C 02 00 00 
{74} normal block at 0x0000022C5CAAEB20, 16 bytes long.
 Data: < &#234;&#228;&#245;&#247;           > 80 EA E4 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000022C5CAAF250, 16 bytes long.
 Data: <@&#233;&#228;&#245;&#247;           > 40 E9 E4 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022C5CAAEDF0, 16 bytes long.
 Data: <&#248;W&#225;&#245;&#247;           > F8 57 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022C5CAAE8F0, 16 bytes long.
 Data: <&#216;W&#225;&#245;&#247;           > D8 57 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022C5CAAE850, 16 bytes long.
 Data: <P &#225;&#245;&#247;           > 50 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022C5CAAEBC0, 16 bytes long.
 Data: <0 &#225;&#245;&#247;           > 30 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022C5CAAF5C0, 16 bytes long.
 Data: <&#224; &#225;&#245;&#247;           > E0 02 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022C5CAAF110, 16 bytes long.
 Data: <  &#225;&#245;&#247;           > 10 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022C5CAAEA80, 16 bytes long.
 Data: <p &#225;&#245;&#247;           > 70 04 E1 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022C5CAAEAD0, 16 bytes long.
 Data: < &#192;&#223;&#245;&#247;           > 18 C0 DF F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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