Task 38687076

Name test_373-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND5083_0
Workunit 31628482
Created 28 Oct 2026, 5:53:30 UTC
Sent 28 Oct 2026, 5:53:36 UTC
Report deadline 2 Nov 2026, 5:53:36 UTC
Received 28 Oct 2026, 6:27:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 21 sec
CPU time 30 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 694.05 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
06:55:19 (5568): wrapper (7.9.26016): starting
06:55:19 (5568): 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
06:55:21 (5568): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:55:21 (5568): 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\6\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\6\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
07:27:17 (5568): C:/Windows/system32/cmd.exe exited; CPU time 1835.828125
07:27:17 (5568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25638181 bytes.
Dumping objects ->
{3835311} normal block at 0x000001B0A6879BD0, 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 0x000001B0A687A3B0, 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 0x000001B0A6854940, 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 0x000001B0A6854A90, 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 0x000001B0A6854C50, 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 0x000001B0A84F6D40, 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 0x000001B0A68BA470, 141 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 0x000001B0A684F000, 8 bytes long.
 Data: <  &#208;&#166;&#176;   > 00 00 D0 A6 B0 01 00 00 
{3834575} normal block at 0x000001B0A68B9D20, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001B0A684E470, 8 bytes long.
 Data: <&#176;GX&#168;&#176;   > B0 47 58 A8 B0 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001B0A6850490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B0A6846520, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001B0A6855690, 16 bytes long.
 Data: < f&#133;&#166;&#176;           > 08 66 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B0A6855730, 16 bytes long.
 Data: <&#224;e&#133;&#166;&#176;           > E0 65 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B0A684F760, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001B0A6855410, 16 bytes long.
 Data: <&#184;e&#133;&#166;&#176;           > B8 65 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B0A6855780, 16 bytes long.
 Data: < e&#133;&#166;&#176;           > 90 65 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B0A6855A00, 16 bytes long.
 Data: <he&#133;&#166;&#176;           > 68 65 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B0A6855E10, 16 bytes long.
 Data: <@e&#133;&#166;&#176;           > 40 65 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001B0A6854CC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001B0A6855AA0, 16 bytes long.
 Data: < &#142;&#132;&#166;&#176;           > 08 8E 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B0A6850000, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001B0A6855E60, 16 bytes long.
 Data: <&#224; &#132;&#166;&#176;           > E0 8D 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B0A6855D20, 16 bytes long.
 Data: <&#184; &#132;&#166;&#176;           > B8 8D 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B0A68559B0, 16 bytes long.
 Data: <  &#132;&#166;&#176;           > 90 8D 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B0A6856130, 16 bytes long.
 Data: <h &#132;&#166;&#176;           > 68 8D 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001B0A6855FF0, 16 bytes long.
 Data: <@ &#132;&#166;&#176;           > 40 8D 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B0A6855F50, 16 bytes long.
 Data: <  &#132;&#166;&#176;           > 18 8D 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B0A684F700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001B0A6855460, 16 bytes long.
 Data: <&#240;&#140;&#132;&#166;&#176;           > F0 8C 84 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B0A6848CF0, 320 bytes long.
 Data: <`T&#133;&#166;&#176;    &#247;&#132;&#166;&#176;   > 60 54 85 A6 B0 01 00 00 00 F7 84 A6 B0 01 00 00 
{274} normal block at 0x000001B0A6856270, 16 bytes long.
 Data: < e&#133;&#166;&#176;           > 20 65 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B0A6855820, 16 bytes long.
 Data: <&#248;d&#133;&#166;&#176;           > F8 64 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B0A684FF40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001B0A6855CD0, 16 bytes long.
 Data: <&#208;d&#133;&#166;&#176;           > D0 64 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B0A684FEE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001B0A6855EB0, 16 bytes long.
 Data: < d&#133;&#166;&#176;           > 18 64 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B0A6855B40, 16 bytes long.
 Data: <&#240;c&#133;&#166;&#176;           > F0 63 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B0A6856180, 16 bytes long.
 Data: <&#200;c&#133;&#166;&#176;           > C8 63 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B0A6855F00, 16 bytes long.
 Data: <&#160;c&#133;&#166;&#176;           > A0 63 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B0A6855960, 16 bytes long.
 Data: <xc&#133;&#166;&#176;           > 78 63 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B0A6855B90, 16 bytes long.
 Data: <Pc&#133;&#166;&#176;           > 50 63 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B0A68555F0, 16 bytes long.
 Data: < K&#133;&#166;&#176;           > 00 4B 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B0A6854B00, 40 bytes long.
 Data: <&#240;U&#133;&#166;&#176;   @mO&#168;&#176;   > F0 55 85 A6 B0 01 00 00 40 6D 4F A8 B0 01 00 00 
{260} normal block at 0x000001B0A6856220, 16 bytes long.
 Data: <0c&#133;&#166;&#176;           > 30 63 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B0A68561D0, 16 bytes long.
 Data: < c&#133;&#166;&#176;           > 08 63 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B0A684FAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001B0A6855910, 16 bytes long.
 Data: <&#224;b&#133;&#166;&#176;           > E0 62 85 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001B0A68562E0, 992 bytes long.
 Data: < Y&#133;&#166;&#176;   &#192;&#250;&#132;&#166;&#176;   > 10 59 85 A6 B0 01 00 00 C0 FA 84 A6 B0 01 00 00 
{92} normal block at 0x000001B0A6850240, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001B0A684E510, 16 bytes long.
 Data: <&#160;&#210;&#131;&#166;&#176;           > A0 D2 83 A6 B0 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001B0A683D2A0, 40 bytes long.
 Data: < &#229;&#132;&#166;&#176;   @ &#133;&#166;&#176;   > 10 E5 84 A6 B0 01 00 00 40 02 85 A6 B0 01 00 00 
{69} normal block at 0x000001B0A684F190, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B0A684EBF0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B0A684E6A0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B0A684E740, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B0A684E650, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B0A684E3D0, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B0A684E790, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001B0A684E9C0, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B0A684EE20, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B0A684EC40, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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