Task 38674748

Name test_152-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2262_1
Workunit 31616746
Created 26 Oct 2026, 6:13:49 UTC
Sent 26 Oct 2026, 6:13:55 UTC
Report deadline 31 Oct 2026, 6:13:55 UTC
Received 26 Oct 2026, 6:44:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648092
Run time 20 min 47 sec
CPU time 20 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,700.27 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.80 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:21:04 (8816): wrapper (7.9.26016): starting
01:21:04 (8816): 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
01:21:05 (8816): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:21:05 (8816): 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\0\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\0\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
01:41:18 (8816): C:/Windows/system32/cmd.exe exited; CPU time 1225.562500
01:41:18 (8816): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 14876013 bytes.
Dumping objects ->
{3835569} normal block at 0x000001D20C655250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001D20C6551E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001D20C655640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001D20C654FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001D20C655090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001D20E4C8520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001D20C72ED50, 235 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) : {3835480} normal block at 0x000001D20C64E630, 8 bytes long.
 Data: <  &#185; &#210;   > 00 00 B9 0C D2 01 00 00 
{3834703} normal block at 0x000001D20C655860, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001D20C64EAE0, 8 bytes long.
 Data: <pER &#210;   > 70 45 52 0E D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001D20C6502E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D20C645C50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001D20C6562B0, 16 bytes long.
 Data: <xme &#210;           > 78 6D 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D20C656030, 16 bytes long.
 Data: <Pme &#210;           > 50 6D 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D20C64F450, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001D20C655E50, 16 bytes long.
 Data: <(me &#210;           > 28 6D 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D20C656940, 16 bytes long.
 Data: < me &#210;           > 00 6D 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D20C656210, 16 bytes long.
 Data: <&#216;le &#210;           > D8 6C 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D20C6564E0, 16 bytes long.
 Data: <&#176;le &#210;           > B0 6C 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D20C648EA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001D20C656350, 16 bytes long.
 Data: <8&#142;d &#210;           > 38 8E 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D20C64F930, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001D20C656490, 16 bytes long.
 Data: < &#142;d &#210;           > 10 8E 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D20C656800, 16 bytes long.
 Data: <&#232; d &#210;           > E8 8D 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D20C655CC0, 16 bytes long.
 Data: <&#192; d &#210;           > C0 8D 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D20C656080, 16 bytes long.
 Data: <  d &#210;           > 98 8D 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D20C656440, 16 bytes long.
 Data: <p d &#210;           > 70 8D 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D20C655F90, 16 bytes long.
 Data: <H d &#210;           > 48 8D 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D20C64FE70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001D20C655C70, 16 bytes long.
 Data: <  d &#210;           > 20 8D 64 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D20C648D20, 320 bytes long.
 Data: <p\e &#210;   p&#254;d &#210;   > 70 5C 65 0C D2 01 00 00 70 FE 64 0C D2 01 00 00 
{273} normal block at 0x000001D20C655DB0, 16 bytes long.
 Data: < le &#210;           > 90 6C 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D20C6563F0, 16 bytes long.
 Data: <hle &#210;           > 68 6C 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D20C64F750, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001D20C655C20, 16 bytes long.
 Data: <@le &#210;           > 40 6C 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D20C64FAB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001D20C655E00, 16 bytes long.
 Data: < ke &#210;           > 88 6B 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D20C655FE0, 16 bytes long.
 Data: <`ke &#210;           > 60 6B 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D20C655D10, 16 bytes long.
 Data: <8ke &#210;           > 38 6B 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D20C655B30, 16 bytes long.
 Data: < ke &#210;           > 10 6B 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D20C6561C0, 16 bytes long.
 Data: <&#232;je &#210;           > E8 6A 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D20C656120, 16 bytes long.
 Data: <&#192;je &#210;           > C0 6A 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D20C656260, 16 bytes long.
 Data: <&#208;&#209;c &#210;           > D0 D1 63 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D20C63D1D0, 40 bytes long.
 Data: <`be &#210;    &#133;L &#210;   > 60 62 65 0C D2 01 00 00 20 85 4C 0E D2 01 00 00 
{259} normal block at 0x000001D20C656990, 16 bytes long.
 Data: <&#160;je &#210;           > A0 6A 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D20C655AE0, 16 bytes long.
 Data: <xje &#210;           > 78 6A 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D20C64FE10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001D20C655BD0, 16 bytes long.
 Data: <Pje &#210;           > 50 6A 65 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001D20C656A50, 992 bytes long.
 Data: <&#208;[e &#210;    &#254;d &#210;   > D0 5B 65 0C D2 01 00 00 10 FE 64 0C D2 01 00 00 
{91} normal block at 0x000001D20C64F2D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001D20C64E310, 16 bytes long.
 Data: <&#224;&#197;c &#210;           > E0 C5 63 0C D2 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001D20C63C5E0, 40 bytes long.
 Data: < &#227;d &#210;   &#208;&#242;d &#210;   > 10 E3 64 0C D2 01 00 00 D0 F2 64 0C D2 01 00 00 
{68} normal block at 0x000001D20C64EEA0, 16 bytes long.
 Data: < &#234;&#174;&#188;&#246;           > 80 EA AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D20C64E5E0, 16 bytes long.
 Data: <@&#233;&#174;&#188;&#246;           > 40 E9 AE BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D20C64F030, 16 bytes long.
 Data: <&#248;W&#171;&#188;&#246;           > F8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D20C64EE50, 16 bytes long.
 Data: <&#216;W&#171;&#188;&#246;           > D8 57 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D20C64F080, 16 bytes long.
 Data: <P &#171;&#188;&#246;           > 50 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D20C64E2C0, 16 bytes long.
 Data: <0 &#171;&#188;&#246;           > 30 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D20C64E540, 16 bytes long.
 Data: <&#224; &#171;&#188;&#246;           > E0 02 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D20C64EF40, 16 bytes long.
 Data: <  &#171;&#188;&#246;           > 10 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D20C64EDB0, 16 bytes long.
 Data: <p &#171;&#188;&#246;           > 70 04 AB BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D20C64EF90, 16 bytes long.
 Data: < &#192;&#169;&#188;&#246;           > 18 C0 A9 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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