Task 38682929

Name test_679-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND7289_0
Workunit 31624520
Created 27 Oct 2026, 9:43:49 UTC
Sent 27 Oct 2026, 9:43:55 UTC
Report deadline 1 Nov 2026, 9:43:55 UTC
Received 27 Oct 2026, 10:27:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 518413
Run time 22 min 31 sec
CPU time 21 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 36,867.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.79 MB
Peak swap size 6.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:05:32 (53456): wrapper (7.9.26016): starting
03:05:32 (53456): 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
03:05:33 (53456): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:05:33 (53456): 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
03:27:12 (53456): C:/Windows/system32/cmd.exe exited; CPU time 1276.218750
03:27:12 (53456): 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: 24072453 bytes.
Dumping objects ->
{3835219} normal block at 0x00000184BD265ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x00000184BD266020, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000184BD265F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x00000184BD265E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x00000184BD265D80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x00000184BEF4B510, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x00000184BD2BC1A0, 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) : {3835130} normal block at 0x00000184BD25DFB0, 8 bytes long.
 Data: <  r&#189;&#132;   > 00 00 72 BD 84 01 00 00 
{3834533} normal block at 0x00000184BD2BCD00, 140 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 0x00000184BD25E6E0, 8 bytes long.
 Data: <&#208;V&&#189;&#132;   > D0 56 26 BD 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000184BD261E50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000184BD256D80, 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 0x00000184BD267040, 16 bytes long.
 Data: <&#168;{&&#189;&#132;           > A8 7B 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000184BD267400, 16 bytes long.
 Data: < {&&#189;&#132;           > 80 7B 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000184BD2604A0, 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 0x00000184BD266B90, 16 bytes long.
 Data: <X{&&#189;&#132;           > 58 7B 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000184BD267590, 16 bytes long.
 Data: <0{&&#189;&#132;           > 30 7B 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000184BD267810, 16 bytes long.
 Data: < {&&#189;&#132;           > 08 7B 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000184BD2673B0, 16 bytes long.
 Data: <&#224;z&&#189;&#132;           > E0 7A 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000184BD266330, 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 0x00000184BD267680, 16 bytes long.
 Data: <&#184;&#184;$&#189;&#132;           > B8 B8 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000184BD25FCC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000184BD2677C0, 16 bytes long.
 Data: < &#184;$&#189;&#132;           > 90 B8 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000184BD267770, 16 bytes long.
 Data: <h&#184;$&#189;&#132;           > 68 B8 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000184BD2670E0, 16 bytes long.
 Data: <@&#184;$&#189;&#132;           > 40 B8 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000184BD266FA0, 16 bytes long.
 Data: < &#184;$&#189;&#132;           > 18 B8 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000184BD2675E0, 16 bytes long.
 Data: <&#240;&#183;$&#189;&#132;           > F0 B7 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000184BD266910, 16 bytes long.
 Data: <&#200;&#183;$&#189;&#132;           > C8 B7 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000184BD260500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000184BD2676D0, 16 bytes long.
 Data: <&#160;&#183;$&#189;&#132;           > A0 B7 24 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000184BD24B7A0, 320 bytes long.
 Data: <&#208;v&&#189;&#132;     &&#189;&#132;   > D0 76 26 BD 84 01 00 00 00 05 26 BD 84 01 00 00 
{271} normal block at 0x00000184BD267130, 16 bytes long.
 Data: <&#192;z&&#189;&#132;           > C0 7A 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000184BD266CD0, 16 bytes long.
 Data: < z&&#189;&#132;           > 98 7A 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000184BD25FDE0, 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 0x00000184BD267720, 16 bytes long.
 Data: <pz&&#189;&#132;           > 70 7A 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000184BD25FD80, 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 0x00000184BD2674F0, 16 bytes long.
 Data: <&#184;y&&#189;&#132;           > B8 79 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000184BD266E60, 16 bytes long.
 Data: < y&&#189;&#132;           > 90 79 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000184BD266FF0, 16 bytes long.
 Data: <hy&&#189;&#132;           > 68 79 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000184BD266E10, 16 bytes long.
 Data: <@y&&#189;&#132;           > 40 79 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000184BD2672C0, 16 bytes long.
 Data: < y&&#189;&#132;           > 18 79 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000184BD266F50, 16 bytes long.
 Data: <&#240;x&&#189;&#132;           > F0 78 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000184BD266A00, 16 bytes long.
 Data: <Pb&&#189;&#132;           > 50 62 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000184BD266250, 40 bytes long.
 Data: < j&&#189;&#132;    &#181;&#244;&#190;&#132;   > 00 6A 26 BD 84 01 00 00 10 B5 F4 BE 84 01 00 00 
{257} normal block at 0x00000184BD267310, 16 bytes long.
 Data: <&#208;x&&#189;&#132;           > D0 78 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000184BD266DC0, 16 bytes long.
 Data: <&#168;x&&#189;&#132;           > A8 78 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000184BD260440, 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 0x00000184BD2669B0, 16 bytes long.
 Data: < x&&#189;&#132;           > 80 78 26 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000184BD267880, 992 bytes long.
 Data: <&#176;i&&#189;&#132;   @ &&#189;&#132;   > B0 69 26 BD 84 01 00 00 40 04 26 BD 84 01 00 00 
{89} normal block at 0x00000184BD2603E0, 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 0x00000184BD25EDC0, 16 bytes long.
 Data: <P&#247;%&#189;&#132;           > 50 F7 25 BD 84 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000184BD25F750, 40 bytes long.
 Data: <&#192;&#237;%&#189;&#132;   &#224; &&#189;&#132;   > C0 ED 25 BD 84 01 00 00 E0 03 26 BD 84 01 00 00 
{66} normal block at 0x00000184BD25EE60, 16 bytes long.
 Data: < &#234;Y &#246;           > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000184BD25EE10, 16 bytes long.
 Data: <@&#233;Y &#246;           > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000184BD25E960, 16 bytes long.
 Data: <&#248;WV &#246;           > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000184BD25E640, 16 bytes long.
 Data: <&#216;WV &#246;           > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000184BD25E4B0, 16 bytes long.
 Data: <P V &#246;           > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000184BD25ED20, 16 bytes long.
 Data: <0 V &#246;           > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000184BD25EB40, 16 bytes long.
 Data: <&#224; V &#246;           > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000184BD25EA50, 16 bytes long.
 Data: <  V &#246;           > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000184BD25EC30, 16 bytes long.
 Data: <p V &#246;           > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000184BD25E410, 16 bytes long.
 Data: < &#192;T &#246;           > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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