Task 38669789

Name test_208-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND1599_0
Workunit 31612099
Created 25 Oct 2026, 15:35:45 UTC
Sent 25 Oct 2026, 15:35:46 UTC
Report deadline 30 Oct 2026, 15:35:46 UTC
Received 25 Oct 2026, 16:25:31 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 33 sec
CPU time 22 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,266.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.52 MB
Peak swap size 3.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
17:01:13 (24192): wrapper (7.9.26016): starting
17:01:13 (24192): 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
17:01:14 (24192): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:01:14 (24192): 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
17:24:18 (24192): C:/Windows/system32/cmd.exe exited; CPU time 1336.093750
17:24:18 (24192): 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: 23875127 bytes.
Dumping objects ->
{3835503} normal block at 0x0000023EFED34700, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000023EFED33F90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000023EFED34770, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835470} normal block at 0x0000023EFED34460, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000023EFCF85D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835428} normal block at 0x0000023EFECAC490, 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) : {3835415} normal block at 0x0000023EFCF7E0E0, 8 bytes long.
 Data: <  &#244;&#252;>   > 00 00 F4 FC 3E 02 00 00 
{3833963} normal block at 0x0000023EFCF7E7C0, 8 bytes long.
 Data: < &#234;&#187;&#254;>   > 90 EA BB FE 3E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000023EFCF81EA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023EFCF76A30, 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 0x0000023EFCF869E0, 16 bytes long.
 Data: <&#184;s&#248;&#252;>           > B8 73 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000023EFCF864E0, 16 bytes long.
 Data: < s&#248;&#252;>           > 90 73 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023EFCF80250, 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 0x0000023EFCF86F80, 16 bytes long.
 Data: <hs&#248;&#252;>           > 68 73 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023EFCF86C60, 16 bytes long.
 Data: <@s&#248;&#252;>           > 40 73 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023EFCF86120, 16 bytes long.
 Data: < s&#248;&#252;>           > 18 73 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023EFCF86760, 16 bytes long.
 Data: <&#240;r&#248;&#252;>           > F0 72 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023EFCF85E00, 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 0x0000023EFCF865D0, 16 bytes long.
 Data: <X &#247;&#252;>           > 58 98 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023EFCF80130, 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 0x0000023EFCF86A30, 16 bytes long.
 Data: <0 &#247;&#252;>           > 30 98 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023EFCF868F0, 16 bytes long.
 Data: <  &#247;&#252;>           > 08 98 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023EFCF86E90, 16 bytes long.
 Data: <&#224;&#151;&#247;&#252;>           > E0 97 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023EFCF86E40, 16 bytes long.
 Data: <&#184;&#151;&#247;&#252;>           > B8 97 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023EFCF86940, 16 bytes long.
 Data: < &#151;&#247;&#252;>           > 90 97 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023EFCF86850, 16 bytes long.
 Data: <h&#151;&#247;&#252;>           > 68 97 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023EFCF807F0, 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 0x0000023EFCF86DF0, 16 bytes long.
 Data: <@&#151;&#247;&#252;>           > 40 97 F7 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023EFCF79740, 320 bytes long.
 Data: <&#240;m&#248;&#252;>   &#240; &#248;&#252;>   > F0 6D F8 FC 3E 02 00 00 F0 07 F8 FC 3E 02 00 00 
{277} normal block at 0x0000023EFCF86F30, 16 bytes long.
 Data: <&#208;r&#248;&#252;>           > D0 72 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023EFCF86710, 16 bytes long.
 Data: <&#168;r&#248;&#252;>           > A8 72 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023EFCF80730, 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 0x0000023EFCF866C0, 16 bytes long.
 Data: < r&#248;&#252;>           > 80 72 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023EFCF7FD70, 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 0x0000023EFCF86990, 16 bytes long.
 Data: <&#200;q&#248;&#252;>           > C8 71 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023EFCF86FD0, 16 bytes long.
 Data: <&#160;q&#248;&#252;>           > A0 71 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023EFCF868A0, 16 bytes long.
 Data: <xq&#248;&#252;>           > 78 71 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023EFCF86620, 16 bytes long.
 Data: <Pq&#248;&#252;>           > 50 71 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023EFCF86800, 16 bytes long.
 Data: <(q&#248;&#252;>           > 28 71 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023EFCF86490, 16 bytes long.
 Data: < q&#248;&#252;>           > 00 71 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023EFCF867B0, 16 bytes long.
 Data: <P_&#248;&#252;>           > 50 5F F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023EFCF85F50, 40 bytes long.
 Data: <&#176;g&#248;&#252;>    &#196;&#202;&#254;>   > B0 67 F8 FC 3E 02 00 00 90 C4 CA FE 3E 02 00 00 
{263} normal block at 0x0000023EFCF86670, 16 bytes long.
 Data: <&#224;p&#248;&#252;>           > E0 70 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023EFCF86D50, 16 bytes long.
 Data: <&#184;p&#248;&#252;>           > B8 70 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023EFCF806D0, 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 0x0000023EFCF86DA0, 16 bytes long.
 Data: < p&#248;&#252;>           > 90 70 F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023EFCF87090, 992 bytes long.
 Data: <&#160;m&#248;&#252;>   &#208; &#248;&#252;>   > A0 6D F8 FC 3E 02 00 00 D0 06 F8 FC 3E 02 00 00 
{95} normal block at 0x0000023EFCF80610, 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 0x0000023EFCF7E5E0, 16 bytes long.
 Data: <&#240;Z&#248;&#252;>           > F0 5A F8 FC 3E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000023EFCF85AF0, 40 bytes long.
 Data: <&#224;&#229;&#247;&#252;>     &#248;&#252;>   > E0 E5 F7 FC 3E 02 00 00 10 06 F8 FC 3E 02 00 00 
{72} normal block at 0x0000023EFCF7DA00, 16 bytes long.
 Data: < &#234;4&#215;&#247;           > 80 EA 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023EFCF7E680, 16 bytes long.
 Data: <@&#233;4&#215;&#247;           > 40 E9 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023EFCF7E590, 16 bytes long.
 Data: <&#248;W1&#215;&#247;           > F8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023EFCF7E720, 16 bytes long.
 Data: <&#216;W1&#215;&#247;           > D8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023EFCF7DDC0, 16 bytes long.
 Data: <P 1&#215;&#247;           > 50 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023EFCF7E540, 16 bytes long.
 Data: <0 1&#215;&#247;           > 30 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023EFCF7E6D0, 16 bytes long.
 Data: <&#224; 1&#215;&#247;           > E0 02 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023EFCF7DCD0, 16 bytes long.
 Data: <  1&#215;&#247;           > 10 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023EFCF7E810, 16 bytes long.
 Data: <p 1&#215;&#247;           > 70 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023EFCF7E360, 16 bytes long.
 Data: < &#192;/&#215;&#247;           > 18 C0 2F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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