Task 38685573

Name test_107-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND5431_0
Workunit 31627036
Created 27 Oct 2026, 21:47:10 UTC
Sent 27 Oct 2026, 21:47:13 UTC
Report deadline 1 Nov 2026, 21:47:13 UTC
Received 27 Oct 2026, 22:09:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 35 sec
CPU time 20 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.93 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:48:27 (14720): wrapper (7.9.26016): starting
16:48:27 (14720): 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
16:48:30 (14720): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:48:30 (14720): 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\31\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\31\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
17:08:56 (14720): C:/Windows/system32/cmd.exe exited; CPU time 1200.937500
17:08:56 (14720): 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: 35552255 bytes.
Dumping objects ->
{3835311} normal block at 0x000001397BDD5BC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001397BDD65D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001397BDD6410, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001397BDD6A30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001397BDD5C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001397BDD55C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001397BD905A0, 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) : {3835222} normal block at 0x0000013979F2FB70, 8 bytes long.
 Data: <  @z9   > 00 00 40 7A 39 01 00 00 
{3834575} normal block at 0x000001397BD90D30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000013979F2FFD0, 8 bytes long.
 Data: <@&#211;&#245;y9   > 40 D3 F5 79 39 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000013979F276B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000013979F28C30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000013979F36A20, 16 bytes long.
 Data: <8h&#243;y9           > 38 68 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000013979F369D0, 16 bytes long.
 Data: < h&#243;y9           > 10 68 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000013979F30E90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000013979F36DE0, 16 bytes long.
 Data: <&#232;g&#243;y9           > E8 67 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000013979F378D0, 16 bytes long.
 Data: <&#192;g&#243;y9           > C0 67 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000013979F37600, 16 bytes long.
 Data: < g&#243;y9           > 98 67 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000013979F36E80, 16 bytes long.
 Data: <pg&#243;y9           > 70 67 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000013979F34FC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000013979F36AC0, 16 bytes long.
 Data: < &#251;&#241;y9           > 88 FB F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000013979F311F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000013979F37290, 16 bytes long.
 Data: <`&#251;&#241;y9           > 60 FB F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000013979F37830, 16 bytes long.
 Data: <8&#251;&#241;y9           > 38 FB F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000013979F37880, 16 bytes long.
 Data: < &#251;&#241;y9           > 10 FB F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000013979F36CA0, 16 bytes long.
 Data: <&#232;&#250;&#241;y9           > E8 FA F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000013979F37470, 16 bytes long.
 Data: <&#192;&#250;&#241;y9           > C0 FA F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000013979F36D40, 16 bytes long.
 Data: < &#250;&#241;y9           > 98 FA F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000013979F316D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000013979F36980, 16 bytes long.
 Data: <p&#250;&#241;y9           > 70 FA F1 79 39 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000013979F1FA70, 320 bytes long.
 Data: < i&#243;y9   &#208; &#243;y9   > 80 69 F3 79 39 01 00 00 D0 16 F3 79 39 01 00 00 
{276} normal block at 0x0000013979F37330, 16 bytes long.
 Data: <Pg&#243;y9           > 50 67 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000013979F372E0, 16 bytes long.
 Data: <(g&#243;y9           > 28 67 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000013979F314F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000013979F377E0, 16 bytes long.
 Data: < g&#243;y9           > 00 67 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000013979F31370, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000013979F37100, 16 bytes long.
 Data: <Hf&#243;y9           > 48 66 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000013979F37380, 16 bytes long.
 Data: < f&#243;y9           > 20 66 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000013979F37240, 16 bytes long.
 Data: <&#248;e&#243;y9           > F8 65 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000013979F373D0, 16 bytes long.
 Data: <&#208;e&#243;y9           > D0 65 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000013979F36ED0, 16 bytes long.
 Data: <&#168;e&#243;y9           > A8 65 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000013979F2F6C0, 16 bytes long.
 Data: < e&#243;y9           > 80 65 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000013979F2F670, 16 bytes long.
 Data: <0P&#243;y9           > 30 50 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000013979F35030, 40 bytes long.
 Data: <p&#246;&#242;y9   &#192;U&#221;{9   > 70 F6 F2 79 39 01 00 00 C0 55 DD 7B 39 01 00 00 
{262} normal block at 0x0000013979F2F580, 16 bytes long.
 Data: <`e&#243;y9           > 60 65 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000013979F2FF30, 16 bytes long.
 Data: <8e&#243;y9           > 38 65 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000013979F30CB0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000013979F2FDA0, 16 bytes long.
 Data: < e&#243;y9           > 10 65 F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000013979F36510, 992 bytes long.
 Data: <&#160;&#253;&#242;y9   &#176; &#243;y9   > A0 FD F2 79 39 01 00 00 B0 0C F3 79 39 01 00 00 
{94} normal block at 0x0000013979F31A30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000013979F2F260, 16 bytes long.
 Data: < M&#243;y9           > 90 4D F3 79 39 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000013979F34D90, 40 bytes long.
 Data: <`&#242;&#242;y9   0 &#243;y9   > 60 F2 F2 79 39 01 00 00 30 1A F3 79 39 01 00 00 
{71} normal block at 0x0000013979F2F300, 16 bytes long.
 Data: < &#234;2B&#247;           > 80 EA 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000013979F2F800, 16 bytes long.
 Data: <@&#233;2B&#247;           > 40 E9 32 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000013979F2F760, 16 bytes long.
 Data: <&#248;W/B&#247;           > F8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000013979F2FA30, 16 bytes long.
 Data: <&#216;W/B&#247;           > D8 57 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000013979F2F440, 16 bytes long.
 Data: <P /B&#247;           > 50 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000013979F2F7B0, 16 bytes long.
 Data: <0 /B&#247;           > 30 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000013979F2F850, 16 bytes long.
 Data: <&#224; /B&#247;           > E0 02 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000013979F2FF80, 16 bytes long.
 Data: <  /B&#247;           > 10 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000013979F30020, 16 bytes long.
 Data: <p /B&#247;           > 70 04 2F 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000013979F2FEE0, 16 bytes long.
 Data: < &#192;-B&#247;           > 18 C0 2D 42 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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