Task 38680095

Name test_333-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND0547_1
Workunit 31621822
Created 26 Oct 2026, 22:47:26 UTC
Sent 26 Oct 2026, 22:47:30 UTC
Report deadline 31 Oct 2026, 22:47:30 UTC
Received 27 Oct 2026, 0:56:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 3 min 14 sec
CPU time 1 hours 0 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.63 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:53:58 (19300): wrapper (7.9.26016): starting
12:53:58 (19300): 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
12:54:00 (19300): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:54:00 (19300): 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\4\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\4\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
13:55:54 (19300): C:/Windows/system32/cmd.exe exited; CPU time 3647.531250
13:55:54 (19300): 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: 61113079 bytes.
Dumping objects ->
{3835297} normal block at 0x00000149D549DB50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x00000149D549DFB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x00000149D549DAE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x00000149D3A0F0B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x00000149D3A0F040, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x00000149D54E8430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x00000149D54FF6A0, 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) : {3835208} normal block at 0x00000149D3A09BE0, 8 bytes long.
 Data: <  -&#213;I   > 00 00 2D D5 49 01 00 00 
{3834578} normal block at 0x00000149D54FEFC0, 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 0x00000149D3A09B40, 8 bytes long.
 Data: < &#235;&#174;&#211;I   > 80 EB AE D3 49 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000149D3A13A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000149D39FA210, 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 0x00000149D3A14FE0, 16 bytes long.
 Data: <&#216;&#250;&#160;&#211;I           > D8 FA A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000149D3A14F90, 16 bytes long.
 Data: <&#176;&#250;&#160;&#211;I           > B0 FA A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000149D3A10850, 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 0x00000149D3A14F40, 16 bytes long.
 Data: < &#250;&#160;&#211;I           > 88 FA A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000149D3A14E00, 16 bytes long.
 Data: <`&#250;&#160;&#211;I           > 60 FA A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000149D3A15260, 16 bytes long.
 Data: <8&#250;&#160;&#211;I           > 38 FA A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000149D3A14DB0, 16 bytes long.
 Data: < &#250;&#160;&#211;I           > 10 FA A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000149D3A0EBE0, 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 0x00000149D3A14A40, 16 bytes long.
 Data: <X\&#159;&#211;I           > 58 5C 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000149D3A103D0, 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 0x00000149D3A149F0, 16 bytes long.
 Data: <0\&#159;&#211;I           > 30 5C 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000149D3A14D60, 16 bytes long.
 Data: < \&#159;&#211;I           > 08 5C 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000149D3A14C70, 16 bytes long.
 Data: <&#224;[&#159;&#211;I           > E0 5B 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000149D3A14BD0, 16 bytes long.
 Data: <&#184;[&#159;&#211;I           > B8 5B 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000149D3A14C20, 16 bytes long.
 Data: < [&#159;&#211;I           > 90 5B 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000149D3A148B0, 16 bytes long.
 Data: <h[&#159;&#211;I           > 68 5B 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000149D3A109D0, 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 0x00000149D3A15170, 16 bytes long.
 Data: <@[&#159;&#211;I           > 40 5B 9F D3 49 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000149D39F5B40, 320 bytes long.
 Data: <pQ&#161;&#211;I   &#208;	&#161;&#211;I   > 70 51 A1 D3 49 01 00 00 D0 09 A1 D3 49 01 00 00 
{271} normal block at 0x00000149D3A14B30, 16 bytes long.
 Data: <&#240;&#249;&#160;&#211;I           > F0 F9 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000149D3A15120, 16 bytes long.
 Data: <&#200;&#249;&#160;&#211;I           > C8 F9 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000149D3A0FF50, 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 0x00000149D3A149A0, 16 bytes long.
 Data: <&#160;&#249;&#160;&#211;I           > A0 F9 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000149D3A10490, 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 0x00000149D3A15300, 16 bytes long.
 Data: <&#232;&#248;&#160;&#211;I           > E8 F8 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000149D3A14AE0, 16 bytes long.
 Data: <&#192;&#248;&#160;&#211;I           > C0 F8 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000149D3A14810, 16 bytes long.
 Data: < &#248;&#160;&#211;I           > 98 F8 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000149D3A15530, 16 bytes long.
 Data: <p&#248;&#160;&#211;I           > 70 F8 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000149D3A154E0, 16 bytes long.
 Data: <H&#248;&#160;&#211;I           > 48 F8 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000149D3A14EA0, 16 bytes long.
 Data: < &#248;&#160;&#211;I           > 20 F8 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000149D3A153F0, 16 bytes long.
 Data: < &#241;&#160;&#211;I           > 90 F1 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000149D3A0F190, 40 bytes long.
 Data: <&#240;S&#161;&#211;I   0&#132;N&#213;I   > F0 53 A1 D3 49 01 00 00 30 84 4E D5 49 01 00 00 
{257} normal block at 0x00000149D3A14860, 16 bytes long.
 Data: < &#248;&#160;&#211;I           > 00 F8 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000149D3A14B80, 16 bytes long.
 Data: <&#216;&#247;&#160;&#211;I           > D8 F7 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000149D3A10AF0, 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 0x00000149D3A15760, 16 bytes long.
 Data: <&#176;&#247;&#160;&#211;I           > B0 F7 A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000149D3A0F7B0, 992 bytes long.
 Data: <`W&#161;&#211;I   &#240; &#161;&#211;I   > 60 57 A1 D3 49 01 00 00 F0 0A A1 D3 49 01 00 00 
{89} normal block at 0x00000149D3A100D0, 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 0x00000149D3A0A180, 16 bytes long.
 Data: <&#240;&#238;&#160;&#211;I           > F0 EE A0 D3 49 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000149D3A0EEF0, 40 bytes long.
 Data: < &#161;&#160;&#211;I   &#208; &#161;&#211;I   > 80 A1 A0 D3 49 01 00 00 D0 00 A1 D3 49 01 00 00 
{66} normal block at 0x00000149D3A09AF0, 16 bytes long.
 Data: < &#234;&#156;&#173;&#246;           > 80 EA 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000149D3A0A860, 16 bytes long.
 Data: <@&#233;&#156;&#173;&#246;           > 40 E9 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000149D3A09B90, 16 bytes long.
 Data: <&#248;W &#173;&#246;           > F8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000149D3A09A50, 16 bytes long.
 Data: <&#216;W &#173;&#246;           > D8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000149D3A0A4F0, 16 bytes long.
 Data: <P  &#173;&#246;           > 50 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000149D3A0A900, 16 bytes long.
 Data: <0  &#173;&#246;           > 30 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000149D3A09C80, 16 bytes long.
 Data: <&#224;  &#173;&#246;           > E0 02 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000149D3A0A8B0, 16 bytes long.
 Data: <   &#173;&#246;           > 10 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000149D3A09C30, 16 bytes long.
 Data: <p  &#173;&#246;           > 70 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000149D3A09AA0, 16 bytes long.
 Data: < &#192;&#151;&#173;&#246;           > 18 C0 97 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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