Task 38685564

Name test_989-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6001_0
Workunit 31627028
Created 27 Oct 2026, 21:43:39 UTC
Sent 27 Oct 2026, 21:43:56 UTC
Report deadline 1 Nov 2026, 21:43:56 UTC
Received 27 Oct 2026, 22:09:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 51 sec
CPU time 23 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.26 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:44:55 (41656): wrapper (7.9.26016): starting
23:44:55 (41656): 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
23:44:56 (41656): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:44:56 (41656): 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\27\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\27\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
00:08:52 (41656): C:/Windows/system32/cmd.exe exited; CPU time 1409.421875
00:08:52 (41656): 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: 28385923 bytes.
Dumping objects ->
{3835575} normal block at 0x000001FF2F12AF70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001FF2F12A870, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x000001FF2F12A410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x000001FF2F12AE20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001FF2F104FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x000001FF30EAA6B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001FF2F16B0C0, 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) : {3835486} normal block at 0x000001FF2F0FB3D0, 8 bytes long.
 Data: <  g/&#255;   > 00 00 67 2F FF 01 00 00 
{3834707} normal block at 0x000001FF2F16AF20, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x000001FF2F0FABB0, 8 bytes long.
 Data: < I /&#255;   > 90 49 10 2F FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001FF2F102730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001FF2F0F6860, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001FF2F1067B0, 16 bytes long.
 Data: <xm /&#255;           > 78 6D 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FF2F106440, 16 bytes long.
 Data: <Pm /&#255;           > 50 6D 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001FF2F0FED60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001FF2F1069E0, 16 bytes long.
 Data: <(m /&#255;           > 28 6D 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FF2F1068A0, 16 bytes long.
 Data: < m /&#255;           > 00 6D 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FF2F106170, 16 bytes long.
 Data: <&#216;l /&#255;           > D8 6C 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FF2F1063A0, 16 bytes long.
 Data: <&#176;l /&#255;           > B0 6C 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FF2F1050B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001FF2F106260, 16 bytes long.
 Data: <&#248;&#244; /&#255;           > F8 F4 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FF2F0FF180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001FF2F106990, 16 bytes long.
 Data: <&#208;&#244; /&#255;           > D0 F4 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FF2F106760, 16 bytes long.
 Data: <&#168;&#244; /&#255;           > A8 F4 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF2F1064E0, 16 bytes long.
 Data: < &#244; /&#255;           > 80 F4 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FF2F106120, 16 bytes long.
 Data: <X&#244; /&#255;           > 58 F4 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FF2F106350, 16 bytes long.
 Data: <0&#244; /&#255;           > 30 F4 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FF2F106080, 16 bytes long.
 Data: < &#244; /&#255;           > 08 F4 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FF2F0FF6C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001FF2F106030, 16 bytes long.
 Data: <&#224;&#243; /&#255;           > E0 F3 0E 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FF2F0EF3E0, 320 bytes long.
 Data: <0` /&#255;   &#192;&#246; /&#255;   > 30 60 10 2F FF 01 00 00 C0 F6 0F 2F FF 01 00 00 
{283} normal block at 0x000001FF2F105B30, 16 bytes long.
 Data: < l /&#255;           > 90 6C 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FF2F105F40, 16 bytes long.
 Data: <hl /&#255;           > 68 6C 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FF2F0FE9A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001FF2F105EA0, 16 bytes long.
 Data: <@l /&#255;           > 40 6C 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FF2F0FF1E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001FF2F106300, 16 bytes long.
 Data: < k /&#255;           > 88 6B 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FF2F106850, 16 bytes long.
 Data: <`k /&#255;           > 60 6B 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FF2F105DB0, 16 bytes long.
 Data: <8k /&#255;           > 38 6B 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FF2F1066C0, 16 bytes long.
 Data: < k /&#255;           > 10 6B 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FF2F1060D0, 16 bytes long.
 Data: <&#232;j /&#255;           > E8 6A 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FF2F105AE0, 16 bytes long.
 Data: <&#192;j /&#255;           > C0 6A 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FF2F1061C0, 16 bytes long.
 Data: < N /&#255;           > 80 4E 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FF2F104E80, 40 bytes long.
 Data: <&#192;a /&#255;   &#176;&#166;&#234;0&#255;   > C0 61 10 2F FF 01 00 00 B0 A6 EA 30 FF 01 00 00 
{269} normal block at 0x000001FF2F105B80, 16 bytes long.
 Data: <&#160;j /&#255;           > A0 6A 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FF2F105CC0, 16 bytes long.
 Data: <xj /&#255;           > 78 6A 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF2F0FF120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001FF2F1062B0, 16 bytes long.
 Data: <Pj /&#255;           > 50 6A 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FF2F106A50, 992 bytes long.
 Data: <&#176;b /&#255;    &#241; /&#255;   > B0 62 10 2F FF 01 00 00 20 F1 0F 2F FF 01 00 00 
{101} normal block at 0x000001FF2F0FF060, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001FF2F0FACF0, 16 bytes long.
 Data: < Q /&#255;           > 90 51 10 2F FF 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001FF2F105190, 40 bytes long.
 Data: <&#240;&#172; /&#255;   `&#240; /&#255;   > F0 AC 0F 2F FF 01 00 00 60 F0 0F 2F FF 01 00 00 
{78} normal block at 0x000001FF2F0FAED0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001FF2F0FB6F0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001FF2F0FAD40, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001FF2F0FB5B0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001FF2F0FB100, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FF2F0FAA20, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FF2F0FB4C0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FF2F0FA8E0, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FF2F0FB240, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FF2F0FAE30, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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