Task 38670609

Name test_365-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND3465_0
Workunit 31612850
Created 25 Oct 2026, 18:03:41 UTC
Sent 25 Oct 2026, 18:03:46 UTC
Report deadline 30 Oct 2026, 18:03:46 UTC
Received 25 Oct 2026, 19:44:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583658
Run time 55 min 19 sec
CPU time 53 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,419.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.46 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
14:50:35 (38452): wrapper (7.9.26016): starting
14:50:35 (38452): 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
14:50:37 (38452): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:50:37 (38452): 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
15:44:13 (38452): C:/Windows/system32/cmd.exe exited; CPU time 3191.046875
15:44:13 (38452): 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: 73007161 bytes.
Dumping objects ->
{3835315} normal block at 0x000002BDC77A07D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835304} normal block at 0x000002BDC77A0990, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835293} normal block at 0x000002BDC77A13A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835282} normal block at 0x000002BDC77A11E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000002BDC77A16B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835240} normal block at 0x000002BDC78BC630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000002BDC791CFC0, 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) : {3835226} normal block at 0x000002BDC5CD7060, 8 bytes long.
 Data: <  {&#199;&#189;   > 00 00 7B C7 BD 02 00 00 
{3834574} normal block at 0x000002BDC791D960, 102 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 0x000002BDC5CD6ED0, 8 bytes long.
 Data: < &#232;z&#199;&#189;   > 90 E8 7A C7 BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002BDC5CE1190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BDC5CE20D0, 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 0x000002BDC5CE2360, 16 bytes long.
 Data: <&#184;8&#206;&#197;&#189;           > B8 38 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002BDC5CE22C0, 16 bytes long.
 Data: < 8&#206;&#197;&#189;           > 90 38 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BDC5CDD7C0, 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 0x000002BDC5CE2220, 16 bytes long.
 Data: <h8&#206;&#197;&#189;           > 68 38 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BDC5CE30D0, 16 bytes long.
 Data: <@8&#206;&#197;&#189;           > 40 38 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BDC5CE2F90, 16 bytes long.
 Data: < 8&#206;&#197;&#189;           > 18 38 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BDC5CE2310, 16 bytes long.
 Data: <&#240;7&#206;&#197;&#189;           > F0 37 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BDC5CDB320, 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 0x000002BDC5CE3080, 16 bytes long.
 Data: <h &#206;&#197;&#189;           > 68 20 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BDC5CDD100, 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 0x000002BDC5CE2F40, 16 bytes long.
 Data: <@ &#206;&#197;&#189;           > 40 20 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BDC5CE2CC0, 16 bytes long.
 Data: <  &#206;&#197;&#189;           > 18 20 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BDC5CE2B80, 16 bytes long.
 Data: <&#240; &#206;&#197;&#189;           > F0 1F CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BDC5CE2270, 16 bytes long.
 Data: <&#200; &#206;&#197;&#189;           > C8 1F CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BDC5CE2E50, 16 bytes long.
 Data: <&#160; &#206;&#197;&#189;           > A0 1F CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BDC5CE2EF0, 16 bytes long.
 Data: <x &#206;&#197;&#189;           > 78 1F CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BDC5CDD160, 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 0x000002BDC5CE29A0, 16 bytes long.
 Data: <P &#206;&#197;&#189;           > 50 1F CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BDC5CE1F50, 320 bytes long.
 Data: <&#160;)&#206;&#197;&#189;   `&#209;&#205;&#197;&#189;   > A0 29 CE C5 BD 02 00 00 60 D1 CD C5 BD 02 00 00 
{271} normal block at 0x000002BDC5CE3030, 16 bytes long.
 Data: <&#208;7&#206;&#197;&#189;           > D0 37 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BDC5CE2810, 16 bytes long.
 Data: <&#168;7&#206;&#197;&#189;           > A8 37 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BDC5CDD0A0, 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 0x000002BDC5CE27C0, 16 bytes long.
 Data: < 7&#206;&#197;&#189;           > 80 37 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BDC5CDCA40, 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 0x000002BDC5CE2770, 16 bytes long.
 Data: <&#200;6&#206;&#197;&#189;           > C8 36 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002BDC5CE2720, 16 bytes long.
 Data: <&#160;6&#206;&#197;&#189;           > A0 36 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BDC5CE2DB0, 16 bytes long.
 Data: <x6&#206;&#197;&#189;           > 78 36 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BDC5CE2950, 16 bytes long.
 Data: <P6&#206;&#197;&#189;           > 50 36 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BDC5CE2540, 16 bytes long.
 Data: <(6&#206;&#197;&#189;           > 28 36 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BDC5CE2D60, 16 bytes long.
 Data: < 6&#206;&#197;&#189;           > 00 36 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002BDC5CE21D0, 16 bytes long.
 Data: <&#176;&#185;&#205;&#197;&#189;           > B0 B9 CD C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BDC5CDB9B0, 40 bytes long.
 Data: <&#208;!&#206;&#197;&#189;   0&#198;&#139;&#199;&#189;   > D0 21 CE C5 BD 02 00 00 30 C6 8B C7 BD 02 00 00 
{257} normal block at 0x000002BDC5CE2AE0, 16 bytes long.
 Data: <&#224;5&#206;&#197;&#189;           > E0 35 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002BDC5CE2680, 16 bytes long.
 Data: <&#184;5&#206;&#197;&#189;           > B8 35 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BDC5CDCF80, 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 0x000002BDC5CE2FE0, 16 bytes long.
 Data: < 5&#206;&#197;&#189;           > 90 35 CE C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002BDC5CE3590, 992 bytes long.
 Data: <&#224;/&#206;&#197;&#189;    &#207;&#205;&#197;&#189;   > E0 2F CE C5 BD 02 00 00 80 CF CD C5 BD 02 00 00 
{89} normal block at 0x000002BDC5CDD340, 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 0x000002BDC5CD6D40, 16 bytes long.
 Data: < &#183;&#205;&#197;&#189;           > 80 B7 CD C5 BD 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002BDC5CDB780, 40 bytes long.
 Data: <@m&#205;&#197;&#189;   @&#211;&#205;&#197;&#189;   > 40 6D CD C5 BD 02 00 00 40 D3 CD C5 BD 02 00 00 
{66} normal block at 0x000002BDC5CD6FC0, 16 bytes long.
 Data: < &#234; w&#246;           > 80 EA 0F 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BDC5CD66B0, 16 bytes long.
 Data: <@&#233; w&#246;           > 40 E9 0F 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BDC5CD6700, 16 bytes long.
 Data: <&#248;W w&#246;           > F8 57 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BDC5CD7380, 16 bytes long.
 Data: <&#216;W w&#246;           > D8 57 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BDC5CD6B10, 16 bytes long.
 Data: <P  w&#246;           > 50 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BDC5CD6C50, 16 bytes long.
 Data: <0  w&#246;           > 30 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BDC5CD7150, 16 bytes long.
 Data: <&#224;  w&#246;           > E0 02 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BDC5CD6D90, 16 bytes long.
 Data: <   w&#246;           > 10 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002BDC5CD6B60, 16 bytes long.
 Data: <p  w&#246;           > 70 04 0C 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002BDC5CD6660, 16 bytes long.
 Data: < &#192; w&#246;           > 18 C0 0A 77 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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