Task 38680597

Name test_367-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND3082_0
Workunit 31622311
Created 27 Oct 2026, 0:34:32 UTC
Sent 27 Oct 2026, 0:34:42 UTC
Report deadline 1 Nov 2026, 0:34:42 UTC
Received 27 Oct 2026, 1:34:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 15 min 37 sec
CPU time 14 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.19 MB
Peak swap size 10.16 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:10:03 (21184): wrapper (7.9.26016): starting
10:10:03 (21184): 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
10:10:08 (21184): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:10:08 (21184): 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\22\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\22\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
10:24:54 (21184): C:/Windows/system32/cmd.exe exited; CPU time 850.609375
10:24:54 (21184): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 17223357 bytes.
Dumping objects ->
{3835586} normal block at 0x00000249A9D5CA00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x00000249A9D5D6B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x00000249A7C75870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x00000249A7C756B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x00000249A7C75640, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x00000249A9DA8E40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x00000249A9DBE060, 100 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) : {3835497} normal block at 0x00000249A7C6F3B0, 8 bytes long.
 Data: <  &&#168;I   > 00 00 26 A8 49 02 00 00 
{3834771} normal block at 0x00000249A9DBC4E0, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x00000249A7C6FFE0, 8 bytes long.
 Data: < &#217;&#197;&#167;I   > F0 D9 C5 A7 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000249A7C71DF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000249A7C66540, 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 0x00000249A7C76CE0, 16 bytes long.
 Data: < `&#199;&#167;I           > F8 60 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000249A7C76970, 16 bytes long.
 Data: <&#208;`&#199;&#167;I           > D0 60 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000249A7C6E6C0, 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 0x00000249A7C76920, 16 bytes long.
 Data: <&#168;`&#199;&#167;I           > A8 60 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000249A7C767E0, 16 bytes long.
 Data: < `&#199;&#167;I           > 80 60 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000249A7C77000, 16 bytes long.
 Data: <X`&#199;&#167;I           > 58 60 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000249A7C76E20, 16 bytes long.
 Data: <0`&#199;&#167;I           > 30 60 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000249A7C759C0, 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 0x00000249A7C76F10, 16 bytes long.
 Data: < &#183;&#197;&#167;I           > 88 B7 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000249A7C6D880, 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 0x00000249A7C76F60, 16 bytes long.
 Data: <`&#183;&#197;&#167;I           > 60 B7 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000249A7C76880, 16 bytes long.
 Data: <8&#183;&#197;&#167;I           > 38 B7 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000249A7C76C90, 16 bytes long.
 Data: < &#183;&#197;&#167;I           > 10 B7 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000249A7C76DD0, 16 bytes long.
 Data: < &#182;&#197;&#167;I           > E8 B6 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000249A7C76A60, 16 bytes long.
 Data: <&#192;&#182;&#197;&#167;I           > C0 B6 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000249A7C76C40, 16 bytes long.
 Data: < &#182;&#197;&#167;I           > 98 B6 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000249A7C6DE20, 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 0x00000249A7C76830, 16 bytes long.
 Data: <p&#182;&#197;&#167;I           > 70 B6 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000249A7C5B670, 320 bytes long.
 Data: <0h&#199;&#167;I    &#222;&#198;&#167;I   > 30 68 C7 A7 49 02 00 00 20 DE C6 A7 49 02 00 00 
{277} normal block at 0x00000249A7C770F0, 16 bytes long.
 Data: < `&#199;&#167;I           > 10 60 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000249A7C770A0, 16 bytes long.
 Data: < _&#199;&#167;I           > E8 5F C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000249A7C6E000, 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 0x00000249A7C76240, 16 bytes long.
 Data: <&#192;_&#199;&#167;I           > C0 5F C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000249A7C6E540, 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 0x00000249A7C76D80, 16 bytes long.
 Data: < _&#199;&#167;I           > 08 5F C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000249A7C766A0, 16 bytes long.
 Data: < ^&#199;&#167;I           > E0 5E C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000249A7C76BA0, 16 bytes long.
 Data: <&#184;^&#199;&#167;I           > B8 5E C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000249A7C76E70, 16 bytes long.
 Data: < ^&#199;&#167;I           > 90 5E C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000249A7C76EC0, 16 bytes long.
 Data: <h^&#199;&#167;I           > 68 5E C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000249A7C6FC70, 16 bytes long.
 Data: <@^&#199;&#167;I           > 40 5E C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000249A7C6F9A0, 16 bytes long.
 Data: < T&#199;&#167;I           > 10 54 C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000249A7C75410, 40 bytes long.
 Data: <  &#198;&#167;I   @ &#218;&#169;I   > A0 F9 C6 A7 49 02 00 00 40 8E DA A9 49 02 00 00 
{263} normal block at 0x00000249A7C6F8B0, 16 bytes long.
 Data: < ^&#199;&#167;I           > 20 5E C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000249A7C6F360, 16 bytes long.
 Data: < ]&#199;&#167;I           > F8 5D C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000249A7C6E660, 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 0x00000249A7C700D0, 16 bytes long.
 Data: <&#208;]&#199;&#167;I           > D0 5D C7 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000249A7C75DD0, 992 bytes long.
 Data: <&#208; &#199;&#167;I   ` &#198;&#167;I   > D0 00 C7 A7 49 02 00 00 60 E6 C6 A7 49 02 00 00 
{95} normal block at 0x00000249A7C6DF40, 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 0x00000249A7C6FE50, 16 bytes long.
 Data: <  &#197;&#167;I           > 80 E6 C5 A7 49 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000249A7C5E680, 40 bytes long.
 Data: <P &#198;&#167;I   @&#223;&#198;&#167;I   > 50 FE C6 A7 49 02 00 00 40 DF C6 A7 49 02 00 00 
{70} normal block at 0x00000249A7C6F770, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000249A7C6FF40, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000249A7C6F720, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000249A7C6FB80, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000249A7C6FEF0, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000249A7C6F540, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000249A7C6FB30, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000249A7C6F860, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000249A7C6FD60, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000249A7C6F4F0, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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