Task 38697826

Name test_540-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5545_0
Workunit 31638378
Created 1 Nov 2026, 22:14:28 UTC
Sent 1 Nov 2026, 22:14:31 UTC
Report deadline 6 Nov 2026, 22:14:31 UTC
Received 1 Nov 2026, 22:45:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 512671
Run time 29 min 50 sec
CPU time 28 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.86 MB
Peak swap size 9.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:16:10 (20764): wrapper (7.9.26016): starting
17:16:10 (20764): 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
17:16:11 (20764): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:16:11 (20764): 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\25\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\25\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
17:44:42 (20764): C:/Windows/system32/cmd.exe exited; CPU time 1711.937500
17:44:42 (20764): 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: 36715161 bytes.
Dumping objects ->
{3835265} normal block at 0x0000011C65404FC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000011C65404A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000011C65405500, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000011C654053B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000011C65404B60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000011C6535D4E0, 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) : {3835177} normal block at 0x0000011C635FDC70, 8 bytes long.
 Data: <  &#175;c    > 00 00 AF 63 1C 01 00 00 
{3833967} normal block at 0x0000011C635FDBD0, 8 bytes long.
 Data: <&#160;&#187;bc    > A0 BB 62 63 1C 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000011C63601A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000011C635F7270, 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 0x0000011C636060A0, 16 bytes long.
 Data: <&#184;p`c            > B8 70 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000011C63605EC0, 16 bytes long.
 Data: < p`c            > 90 70 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000011C635FF910, 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 0x0000011C63606000, 16 bytes long.
 Data: <hp`c            > 68 70 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000011C63606A00, 16 bytes long.
 Data: <@p`c            > 40 70 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000011C63606820, 16 bytes long.
 Data: < p`c            > 18 70 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000011C636060F0, 16 bytes long.
 Data: <&#240;o`c            > F0 6F 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000011C636043B0, 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 0x0000011C63606190, 16 bytes long.
 Data: <&#216;&#248;^c            > D8 F8 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000011C636001B0, 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 0x0000011C63606690, 16 bytes long.
 Data: <&#176;&#248;^c            > B0 F8 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000011C636061E0, 16 bytes long.
 Data: < &#248;^c            > 88 F8 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000011C63606960, 16 bytes long.
 Data: <`&#248;^c            > 60 F8 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000011C63606140, 16 bytes long.
 Data: <8&#248;^c            > 38 F8 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000011C63606640, 16 bytes long.
 Data: < &#248;^c            > 10 F8 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011C63606AF0, 16 bytes long.
 Data: <&#232;&#247;^c            > E8 F7 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000011C63600090, 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 0x0000011C63605E20, 16 bytes long.
 Data: <&#192;&#247;^c            > C0 F7 5E 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000011C635EF7C0, 320 bytes long.
 Data: < ^`c      `c    > 20 5E 60 63 1C 01 00 00 90 00 60 63 1C 01 00 00 
{279} normal block at 0x0000011C63606500, 16 bytes long.
 Data: <&#208;o`c            > D0 6F 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000011C63606050, 16 bytes long.
 Data: <&#168;o`c            > A8 6F 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000011C635FFD90, 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 0x0000011C63606C30, 16 bytes long.
 Data: < o`c            > 80 6F 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011C635FF9D0, 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 0x0000011C636065F0, 16 bytes long.
 Data: <&#200;n`c            > C8 6E 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000011C636068C0, 16 bytes long.
 Data: <&#160;n`c            > A0 6E 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000011C636065A0, 16 bytes long.
 Data: <xn`c            > 78 6E 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000011C63605DD0, 16 bytes long.
 Data: <Pn`c            > 50 6E 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000011C63606550, 16 bytes long.
 Data: <(n`c            > 28 6E 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000011C63606CD0, 16 bytes long.
 Data: < n`c            > 00 6E 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000011C63606BE0, 16 bytes long.
 Data: <&#208;B`c            > D0 42 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000011C636042D0, 40 bytes long.
 Data: <&#224;k`c    &#224;&#212;5e    > E0 6B 60 63 1C 01 00 00 E0 D4 35 65 1C 01 00 00 
{265} normal block at 0x0000011C63605E70, 16 bytes long.
 Data: <&#224;m`c            > E0 6D 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000011C636067D0, 16 bytes long.
 Data: <&#184;m`c            > B8 6D 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000011C636000F0, 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 0x0000011C63605F60, 16 bytes long.
 Data: < m`c            > 90 6D 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000011C63606D90, 992 bytes long.
 Data: <`_`c    &#240; `c    > 60 5F 60 63 1C 01 00 00 F0 00 60 63 1C 01 00 00 
{97} normal block at 0x0000011C635FFC10, 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 0x0000011C635FE850, 16 bytes long.
 Data: <0G`c            > 30 47 60 63 1C 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000011C63604730, 40 bytes long.
 Data: <P&#232;_c     &#252;_c    > 50 E8 5F 63 1C 01 00 00 10 FC 5F 63 1C 01 00 00 
{74} normal block at 0x0000011C635FDA40, 16 bytes long.
 Data: < &#234;&#254;"&#247;           > 80 EA FE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000011C635FE5D0, 16 bytes long.
 Data: <@&#233;&#254;"&#247;           > 40 E9 FE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000011C635FE3A0, 16 bytes long.
 Data: <&#248;W&#251;"&#247;           > F8 57 FB 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000011C635FDD10, 16 bytes long.
 Data: <&#216;W&#251;"&#247;           > D8 57 FB 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000011C635FE170, 16 bytes long.
 Data: <P &#251;"&#247;           > 50 04 FB 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000011C635FE800, 16 bytes long.
 Data: <0 &#251;"&#247;           > 30 04 FB 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000011C635FE210, 16 bytes long.
 Data: <&#224; &#251;"&#247;           > E0 02 FB 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000011C635FDEA0, 16 bytes long.
 Data: <  &#251;"&#247;           > 10 04 FB 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000011C635FE120, 16 bytes long.
 Data: <p &#251;"&#247;           > 70 04 FB 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000011C635FDB80, 16 bytes long.
 Data: < &#192;&#249;"&#247;           > 18 C0 F9 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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