Task 38683355

Name test_184-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND1419_0
Workunit 31624918
Created 27 Oct 2026, 11:29:52 UTC
Sent 27 Oct 2026, 11:30:00 UTC
Report deadline 1 Nov 2026, 11:30:00 UTC
Received 27 Oct 2026, 13:41:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648153
Run time 1 hours 2 min 49 sec
CPU time 55 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.69 MB
Peak swap size 6.86 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:41:19 (31016): wrapper (7.9.26016): starting
07:41:19 (31016): 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
07:41:23 (31016): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:41:23 (31016): 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\0\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\0\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
08:41:28 (31016): C:/Windows/system32/cmd.exe exited; CPU time 3300.609375
08:41:28 (31016): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 95714903 bytes.
Dumping objects ->
{3835249} normal block at 0x0000013E82EB6900, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000013E82EB67B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x0000013E82EB6510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x0000013E82EB64A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000013E82EB6740, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x0000013E849512D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835161} normal block at 0x0000013E82DDC620, 8 bytes long.
 Data: <   &#131;>   > 00 00 17 83 3E 01 00 00 
{3833977} normal block at 0x0000013E82DDBBD0, 8 bytes long.
 Data: <&#192;&#229;&#235;&#130;>   > C0 E5 EB 82 3E 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000013E82DE2D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000013E82DD7EE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000013E82DE7430, 16 bytes long.
 Data: <&#216;&#133;&#222;&#130;>           > D8 85 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000013E82DE8100, 16 bytes long.
 Data: <&#176;&#133;&#222;&#130;>           > B0 85 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000013E82DE04E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000013E82DE7CA0, 16 bytes long.
 Data: < &#133;&#222;&#130;>           > 88 85 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000013E82DE81F0, 16 bytes long.
 Data: <`&#133;&#222;&#130;>           > 60 85 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000013E82DE7ED0, 16 bytes long.
 Data: <8&#133;&#222;&#130;>           > 38 85 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000013E82DE8060, 16 bytes long.
 Data: < &#133;&#222;&#130;>           > 10 85 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013E82DE5B00, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000013E82DE7E30, 16 bytes long.
 Data: <h&#167;&#221;&#130;>           > 68 A7 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013E82DE0840, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000013E82DE7E80, 16 bytes long.
 Data: <@&#167;&#221;&#130;>           > 40 A7 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013E82DE7CF0, 16 bytes long.
 Data: < &#167;&#221;&#130;>           > 18 A7 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013E82DE7BB0, 16 bytes long.
 Data: <&#240;&#166;&#221;&#130;>           > F0 A6 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013E82DE7F20, 16 bytes long.
 Data: <&#200;&#166;&#221;&#130;>           > C8 A6 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013E82DE7570, 16 bytes long.
 Data: <&#160;&#166;&#221;&#130;>           > A0 A6 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000013E82DE7F70, 16 bytes long.
 Data: <x&#166;&#221;&#130;>           > 78 A6 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013E82DE01E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x0000013E82DE7C50, 16 bytes long.
 Data: <P&#166;&#221;&#130;>           > 50 A6 DD 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000013E82DDA650, 320 bytes long.
 Data: <P|&#222;&#130;>   &#224; &#222;&#130;>   > 50 7C DE 82 3E 01 00 00 E0 01 DE 82 3E 01 00 00 
{284} normal block at 0x0000013E82DE7FC0, 16 bytes long.
 Data: <&#240;&#132;&#222;&#130;>           > F0 84 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013E82DE80B0, 16 bytes long.
 Data: <&#200;&#132;&#222;&#130;>           > C8 84 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013E82DE0F60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000013E82DE79D0, 16 bytes long.
 Data: <&#160;&#132;&#222;&#130;>           > A0 84 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013E82DE0240, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000013E82DE7840, 16 bytes long.
 Data: <&#232;&#131;&#222;&#130;>           > E8 83 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000013E82DE74D0, 16 bytes long.
 Data: <&#192;&#131;&#222;&#130;>           > C0 83 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013E82DE7B60, 16 bytes long.
 Data: < &#131;&#222;&#130;>           > 98 83 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000013E82DE7700, 16 bytes long.
 Data: <p&#131;&#222;&#130;>           > 70 83 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013E82DE7C00, 16 bytes long.
 Data: <H&#131;&#222;&#130;>           > 48 83 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013E82DE7B10, 16 bytes long.
 Data: < &#131;&#222;&#130;>           > 20 83 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013E82DE8010, 16 bytes long.
 Data: < W&#222;&#130;>           > 10 57 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000013E82DE5710, 40 bytes long.
 Data: <  &#222;&#130;>   &#208; &#149;&#132;>   > 10 80 DE 82 3E 01 00 00 D0 12 95 84 3E 01 00 00 
{270} normal block at 0x0000013E82DE7750, 16 bytes long.
 Data: < &#131;&#222;&#130;>           > 00 83 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013E82DE7D90, 16 bytes long.
 Data: <&#216;&#130;&#222;&#130;>           > D8 82 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013E82DE0540, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000013E82DE7340, 16 bytes long.
 Data: <&#176;&#130;&#222;&#130;>           > B0 82 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013E82DE82B0, 992 bytes long.
 Data: <@s&#222;&#130;>   @ &#222;&#130;>   > 40 73 DE 82 3E 01 00 00 40 05 DE 82 3E 01 00 00 
{102} normal block at 0x0000013E82DE0F00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000013E82DDB950, 16 bytes long.
 Data: <0V&#222;&#130;>           > 30 56 DE 82 3E 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000013E82DE5630, 40 bytes long.
 Data: <P&#185;&#221;&#130;>     &#222;&#130;>   > 50 B9 DD 82 3E 01 00 00 00 0F DE 82 3E 01 00 00 
{79} normal block at 0x0000013E82DDBD60, 16 bytes long.
 Data: < &#234;&#130;M&#246;           > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000013E82DDC580, 16 bytes long.
 Data: <@&#233;&#130;M&#246;           > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000013E82DDC300, 16 bytes long.
 Data: <&#248;W M&#246;           > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000013E82DDBFE0, 16 bytes long.
 Data: <&#216;W M&#246;           > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000013E82DDB900, 16 bytes long.
 Data: <P  M&#246;           > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000013E82DDC210, 16 bytes long.
 Data: <0  M&#246;           > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000013E82DDBD10, 16 bytes long.
 Data: <&#224;  M&#246;           > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000013E82DDC120, 16 bytes long.
 Data: <   M&#246;           > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000013E82DDC6C0, 16 bytes long.
 Data: <p  M&#246;           > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013E82DDBB30, 16 bytes long.
 Data: < &#192;}M&#246;           > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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