Task 38687205

Name test_176-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7215_1
Workunit 31628592
Created 28 Oct 2026, 6:30:45 UTC
Sent 28 Oct 2026, 6:30:54 UTC
Report deadline 2 Nov 2026, 6:30:54 UTC
Received 28 Oct 2026, 8:12:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618582
Run time 33 min 40 sec
CPU time 20 min 49 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 751.60 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:38:28 (16644): wrapper (7.9.26016): starting
00:38:28 (16644): 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
00:38:31 (16644): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:38:31 (16644): 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
01:11:09 (16644): C:/Windows/system32/cmd.exe exited; CPU time 1249.250000
01:11:09 (16644): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 22812901 bytes.
Dumping objects ->
{3835570} normal block at 0x0000019960CEBF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x000001995EED4970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x000001995EED4900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x000001995EED4820, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x000001995EED46D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x0000019960D371C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000001995EEF9FC0, 155 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) : {3835480} normal block at 0x000001995EECE6D0, 8 bytes long.
 Data: <  X_    > 00 00 58 5F 99 01 00 00 
{3834699} normal block at 0x000001995EEF9EE0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001995EECE270, 8 bytes long.
 Data: <`K&#220;`    > 60 4B DC 60 99 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001995EECFED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001995EEC5A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001995EED5950, 16 bytes long.
 Data: < _&#237;^            > 18 5F ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001995EED55E0, 16 bytes long.
 Data: <&#240;^&#237;^            > F0 5E ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001995EECF040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001995EED5540, 16 bytes long.
 Data: <&#200;^&#237;^            > C8 5E ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001995EED5040, 16 bytes long.
 Data: <&#160;^&#237;^            > A0 5E ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001995EED5360, 16 bytes long.
 Data: <x^&#237;^            > 78 5E ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001995EED52C0, 16 bytes long.
 Data: <P^&#237;^            > 50 5E ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001995EED4740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001995EED4F00, 16 bytes long.
 Data: <x&#221;&#236;^            > 78 DD EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001995EECF2E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001995EED5A90, 16 bytes long.
 Data: <P&#221;&#236;^            > 50 DD EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001995EED5AE0, 16 bytes long.
 Data: <(&#221;&#236;^            > 28 DD EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001995EED51D0, 16 bytes long.
 Data: < &#221;&#236;^            > 00 DD EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001995EED5590, 16 bytes long.
 Data: <&#216;&#220;&#236;^            > D8 DC EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001995EED4E60, 16 bytes long.
 Data: <&#176;&#220;&#236;^            > B0 DC EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001995EED4C80, 16 bytes long.
 Data: < &#220;&#236;^            > 88 DC EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001995EECF7C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001995EED5770, 16 bytes long.
 Data: <`&#220;&#236;^            > 60 DC EC 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001995EECDC60, 320 bytes long.
 Data: <pW&#237;^    &#192;&#247;&#236;^    > 70 57 ED 5E 99 01 00 00 C0 F7 EC 5E 99 01 00 00 
{276} normal block at 0x000001995EED5900, 16 bytes long.
 Data: <0^&#237;^            > 30 5E ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001995EED5450, 16 bytes long.
 Data: < ^&#237;^            > 08 5E ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001995EECEFE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001995EED57C0, 16 bytes long.
 Data: <&#224;]&#237;^            > E0 5D ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001995EECEF80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001995EED56D0, 16 bytes long.
 Data: <(]&#237;^            > 28 5D ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001995EED4DC0, 16 bytes long.
 Data: < ]&#237;^            > 00 5D ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001995EED4FF0, 16 bytes long.
 Data: <&#216;\&#237;^            > D8 5C ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001995EED58B0, 16 bytes long.
 Data: <&#176;\&#237;^            > B0 5C ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001995EED5400, 16 bytes long.
 Data: < \&#237;^            > 88 5C ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001995EED54F0, 16 bytes long.
 Data: <`\&#237;^            > 60 5C ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001995EED5860, 16 bytes long.
 Data: <&#160;D&#237;^            > A0 44 ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001995EED44A0, 40 bytes long.
 Data: <`X&#237;^    &#192;q&#211;`    > 60 58 ED 5E 99 01 00 00 C0 71 D3 60 99 01 00 00 
{262} normal block at 0x000001995EED5720, 16 bytes long.
 Data: <@\&#237;^            > 40 5C ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001995EED5A40, 16 bytes long.
 Data: < \&#237;^            > 18 5C ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001995EECFBE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001995EED4FA0, 16 bytes long.
 Data: <&#240;[&#237;^            > F0 5B ED 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001995EED5BF0, 992 bytes long.
 Data: <&#160;O&#237;^    &#224;&#251;&#236;^    > A0 4F ED 5E 99 01 00 00 E0 FB EC 5E 99 01 00 00 
{94} normal block at 0x000001995EECEF20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001995EECE220, 16 bytes long.
 Data: <&#176;&#239;&#235;^            > B0 EF EB 5E 99 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001995EEBEFB0, 40 bytes long.
 Data: < &#226;&#236;^     &#239;&#236;^    > 20 E2 EC 5E 99 01 00 00 20 EF EC 5E 99 01 00 00 
{71} normal block at 0x000001995EECED60, 16 bytes long.
 Data: < &#234;#A&#247;           > 80 EA 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001995EECEC70, 16 bytes long.
 Data: <@&#233;#A&#247;           > 40 E9 23 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001995EECE950, 16 bytes long.
 Data: <&#248;W A&#247;           > F8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001995EECEA90, 16 bytes long.
 Data: <&#216;W A&#247;           > D8 57 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001995EECE680, 16 bytes long.
 Data: <P  A&#247;           > 50 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001995EECEA40, 16 bytes long.
 Data: <0  A&#247;           > 30 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001995EECE7C0, 16 bytes long.
 Data: <&#224;  A&#247;           > E0 02 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001995EECE2C0, 16 bytes long.
 Data: <   A&#247;           > 10 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001995EECE5E0, 16 bytes long.
 Data: <p  A&#247;           > 70 04 20 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001995EECE540, 16 bytes long.
 Data: < &#192; A&#247;           > 18 C0 1E 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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