Task 38682852

Name test_624-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND0684_0
Workunit 31624444
Created 27 Oct 2026, 9:26:10 UTC
Sent 27 Oct 2026, 9:26:14 UTC
Report deadline 1 Nov 2026, 9:26:14 UTC
Received 27 Oct 2026, 10:05:27 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 21 min 47 sec
CPU time 20 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.50 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:43:41 (56396): wrapper (7.9.26016): starting
02:43:41 (56396): 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
02:43:43 (56396): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:43:43 (56396): 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\1\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\1\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
03:04:37 (56396): C:/Windows/system32/cmd.exe exited; CPU time 1232.859375
03:04:37 (56396): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23369389 bytes.
Dumping objects ->
{3835219} normal block at 0x0000027B15D450D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x0000027B15D45530, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x0000027B15D45370, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x0000027B15D45300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x0000027B15D45610, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x0000027B17967FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x0000027B15D8F2C0, 140 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) : {3835130} normal block at 0x0000027B15D3FB20, 8 bytes long.
 Data: <    {   > 00 00 0D 16 7B 02 00 00 
{3834533} normal block at 0x0000027B15D8F050, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000027B15D3F7B0, 8 bytes long.
 Data: <P&#169;&#214; {   > 50 A9 D6 15 7B 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000027B15D412E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000027B15D36210, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000027B15D45FF0, 16 bytes long.
 Data: <xn&#212; {           > 78 6E D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000027B15D45E60, 16 bytes long.
 Data: <Pn&#212; {           > 50 6E D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000027B15D40770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000027B15D46540, 16 bytes long.
 Data: <(n&#212; {           > 28 6E D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000027B15D46220, 16 bytes long.
 Data: < n&#212; {           > 00 6E D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000027B15D45FA0, 16 bytes long.
 Data: <&#216;m&#212; {           > D8 6D D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000027B15D45C80, 16 bytes long.
 Data: <&#176;m&#212; {           > B0 6D D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000027B15D451B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000027B15D45F50, 16 bytes long.
 Data: < &#148;&#211; {           > 88 94 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000027B15D40230, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000027B15D45F00, 16 bytes long.
 Data: <`&#148;&#211; {           > 60 94 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000027B15D45E10, 16 bytes long.
 Data: <8&#148;&#211; {           > 38 94 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000027B15D46900, 16 bytes long.
 Data: < &#148;&#211; {           > 10 94 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000027B15D467C0, 16 bytes long.
 Data: <&#232;&#147;&#211; {           > E8 93 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000027B15D46770, 16 bytes long.
 Data: <&#192;&#147;&#211; {           > C0 93 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000027B15D45DC0, 16 bytes long.
 Data: < &#147;&#211; {           > 98 93 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000027B15D40BF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000027B15D46720, 16 bytes long.
 Data: <p&#147;&#211; {           > 70 93 D3 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000027B15D39370, 320 bytes long.
 Data: < g&#212; {   &#240; &#212; {   > 20 67 D4 15 7B 02 00 00 F0 0B D4 15 7B 02 00 00 
{271} normal block at 0x0000027B15D464F0, 16 bytes long.
 Data: < m&#212; {           > 90 6D D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000027B15D466D0, 16 bytes long.
 Data: <hm&#212; {           > 68 6D D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000027B15D40CB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000027B15D465E0, 16 bytes long.
 Data: <@m&#212; {           > 40 6D D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000027B15D40AD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000027B15D45EB0, 16 bytes long.
 Data: < l&#212; {           > 88 6C D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000027B15D46270, 16 bytes long.
 Data: <`l&#212; {           > 60 6C D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000027B15D45C30, 16 bytes long.
 Data: <8l&#212; {           > 38 6C D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000027B15D463B0, 16 bytes long.
 Data: < l&#212; {           > 10 6C D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000027B15D461D0, 16 bytes long.
 Data: <&#232;k&#212; {           > E8 6B D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000027B15D45D70, 16 bytes long.
 Data: <&#192;k&#212; {           > C0 6B D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000027B15D45D20, 16 bytes long.
 Data: <@Q&#212; {           > 40 51 D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000027B15D45140, 40 bytes long.
 Data: < ]&#212; {   &#240; &#150; {   > 20 5D D4 15 7B 02 00 00 F0 7F 96 17 7B 02 00 00 
{257} normal block at 0x0000027B15D460E0, 16 bytes long.
 Data: <&#160;k&#212; {           > A0 6B D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000027B15D46180, 16 bytes long.
 Data: <xk&#212; {           > 78 6B D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000027B15D40A70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000027B15D46040, 16 bytes long.
 Data: <Pk&#212; {           > 50 6B D4 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000027B15D46B50, 992 bytes long.
 Data: <@`&#212; {   p &#212; {   > 40 60 D4 15 7B 02 00 00 70 0A D4 15 7B 02 00 00 
{89} normal block at 0x0000027B15D40710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000027B15D3F490, 16 bytes long.
 Data: <&#160;&#232;&#210; {           > A0 E8 D2 15 7B 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000027B15D2E8A0, 40 bytes long.
 Data: < &#244;&#211; {     &#212; {   > 90 F4 D3 15 7B 02 00 00 10 07 D4 15 7B 02 00 00 
{66} normal block at 0x0000027B15D3F8A0, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000027B15D3F2B0, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000027B15D3F3F0, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000027B15D3F210, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000027B15D3FE90, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000027B15D3FA80, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000027B15D3F710, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000027B15D3FC10, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000027B15D3F260, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000027B15D3FBC0, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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