Task 38680278

Name test_557-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5717_0
Workunit 31622004
Created 26 Oct 2026, 23:24:50 UTC
Sent 26 Oct 2026, 23:24:53 UTC
Report deadline 31 Oct 2026, 23:24:53 UTC
Received 27 Oct 2026, 0:16:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 24 min 59 sec
CPU time 23 min 12 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 783.24 MB
Peak swap size 9.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:52:19 (15124): wrapper (7.9.26016): starting
01:52:19 (15124): 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
01:52:21 (15124): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:52:21 (15124): 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
02:16:31 (15124): C:/Windows/system32/cmd.exe exited; CPU time 1392.718750
02:16:31 (15124): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22448819 bytes.
Dumping objects ->
{3835317} normal block at 0x00000256CEEE4F70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x00000256CEEE51A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x00000256CEEE4F00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x00000256CEEE53D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x00000256CEEE4E90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x00000256D0D1B700, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000256D0D2F180, 102 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) : {3835228} normal block at 0x00000256CEEDFB00, 8 bytes long.
 Data: <  Z&#207;V   > 00 00 5A CF 56 02 00 00 
{3834592} normal block at 0x00000256D0D2EF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x00000256CEEDEFC0, 8 bytes long.
 Data: <@&#212;&#251;&#206;V   > 40 D4 FB CE 56 02 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000256CEEE1BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000256CEED5E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x00000256CEEE62D0, 16 bytes long.
 Data: < i&#238;&#206;V           > 88 69 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000256CEEE6000, 16 bytes long.
 Data: <`i&#238;&#206;V           > 60 69 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000256CEEDDAC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x00000256CEEE5970, 16 bytes long.
 Data: <8i&#238;&#206;V           > 38 69 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000256CEEE5F60, 16 bytes long.
 Data: < i&#238;&#206;V           > 10 69 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000256CEEE5D30, 16 bytes long.
 Data: <&#232;h&#238;&#206;V           > E8 68 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000256CEEE6230, 16 bytes long.
 Data: <&#192;h&#238;&#206;V           > C0 68 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000256CEEE5280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x00000256CEEE6370, 16 bytes long.
 Data: <H&#143;&#237;&#206;V           > 48 8F ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000256CEEDD580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x00000256CEEE61E0, 16 bytes long.
 Data: < &#143;&#237;&#206;V           > 20 8F ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000256CEEE5830, 16 bytes long.
 Data: <&#248; &#237;&#206;V           > F8 8E ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000256CEEE5A60, 16 bytes long.
 Data: <&#208; &#237;&#206;V           > D0 8E ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000256CEEE60F0, 16 bytes long.
 Data: <&#168; &#237;&#206;V           > A8 8E ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000256CEEE58D0, 16 bytes long.
 Data: <  &#237;&#206;V           > 80 8E ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000256CEEE65A0, 16 bytes long.
 Data: <X &#237;&#206;V           > 58 8E ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000256CEEDE0C0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{282} normal block at 0x00000256CEEE6050, 16 bytes long.
 Data: <0 &#237;&#206;V           > 30 8E ED CE 56 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000256CEED8E30, 320 bytes long.
 Data: <P`&#238;&#206;V   &#192;&#224;&#237;&#206;V   > 50 60 EE CE 56 02 00 00 C0 E0 ED CE 56 02 00 00 
{280} normal block at 0x00000256CEEE5B50, 16 bytes long.
 Data: <&#160;h&#238;&#206;V           > A0 68 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000256CEEE6550, 16 bytes long.
 Data: <xh&#238;&#206;V           > 78 68 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000256CEEDD520, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x00000256CEEE5C90, 16 bytes long.
 Data: <Ph&#238;&#206;V           > 50 68 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000256CEEDD4C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x00000256CEEE6410, 16 bytes long.
 Data: < g&#238;&#206;V           > 98 67 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000256CEEE5E20, 16 bytes long.
 Data: <pg&#238;&#206;V           > 70 67 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000256CEEE5C40, 16 bytes long.
 Data: <Hg&#238;&#206;V           > 48 67 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000256CEEE5CE0, 16 bytes long.
 Data: < g&#238;&#206;V           > 20 67 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000256CEEE6500, 16 bytes long.
 Data: <&#248;f&#238;&#206;V           > F8 66 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000256CEEE6140, 16 bytes long.
 Data: <&#208;f&#238;&#206;V           > D0 66 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000256CEEE5F10, 16 bytes long.
 Data: < U&#238;&#206;V           > 20 55 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000256CEEE5520, 40 bytes long.
 Data: < _&#238;&#206;V    &#183;&#209;&#208;V   > 10 5F EE CE 56 02 00 00 00 B7 D1 D0 56 02 00 00 
{266} normal block at 0x00000256CEEE64B0, 16 bytes long.
 Data: <&#176;f&#238;&#206;V           > B0 66 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000256CEEE60A0, 16 bytes long.
 Data: < f&#238;&#206;V           > 88 66 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000256CEEDDEE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x00000256CEEE5BF0, 16 bytes long.
 Data: <`f&#238;&#206;V           > 60 66 EE CE 56 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000256CEEE6660, 992 bytes long.
 Data: <&#240;[&#238;&#206;V   &#224;&#222;&#237;&#206;V   > F0 5B EE CE 56 02 00 00 E0 DE ED CE 56 02 00 00 
{98} normal block at 0x00000256CEEDDA60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x00000256CEEDF880, 16 bytes long.
 Data: <&#192;&#225;&#236;&#206;V           > C0 E1 EC CE 56 02 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x00000256CEECE1C0, 40 bytes long.
 Data: < &#248;&#237;&#206;V   `&#218;&#237;&#206;V   > 80 F8 ED CE 56 02 00 00 60 DA ED CE 56 02 00 00 
{75} normal block at 0x00000256CEEDF970, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000256CEEDF9C0, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000256CEEDFBF0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000256CEEDF600, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000256CEEDF330, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000256CEEDFC40, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000256CEEDFDD0, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000256CEEDFBA0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000256CEEDF470, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000256CEEDF740, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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