Task 38682384

Name test_770-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7807_0
Workunit 31624000
Created 27 Oct 2026, 7:36:55 UTC
Sent 27 Oct 2026, 7:37:05 UTC
Report deadline 1 Nov 2026, 7:37:05 UTC
Received 27 Oct 2026, 8:29:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651312
Run time 17 min 10 sec
CPU time 15 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,279.60 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.00 MB
Peak swap size 10.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:12:38 (9076): wrapper (7.9.26016): starting
03:12:38 (9076): 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
03:12:39 (9076): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:12:39 (9076): 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
03:29:31 (9076): C:/Windows/system32/cmd.exe exited; CPU time 945.968750
03:29:31 (9076): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 21812493 bytes.
Dumping objects ->
{3835289} normal block at 0x00000252D2BD46C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835278} normal block at 0x00000252D2BD4650, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x00000252D2BD4B90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835256} normal block at 0x00000252D2BD49D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x00000252D2BD4810, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835214} normal block at 0x00000252D49F3A90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x00000252D2C2D9D0, 135 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) : {3835200} normal block at 0x00000252D2BD03C0, 8 bytes long.
 Data: <  w&#212;R   > 00 00 77 D4 52 02 00 00 
{3834577} normal block at 0x00000252D2C2D5C0, 135 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 0x00000252D2BCF650, 8 bytes long.
 Data: <&#240;G&#165;&#212;R   > F0 47 A5 D4 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000252D2BD0930, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000252D2BC69B0, 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 0x00000252D2BD59E0, 16 bytes long.
 Data: <(U&#189;&#210;R           > 28 55 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000252D2BD5670, 16 bytes long.
 Data: < U&#189;&#210;R           > 00 55 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000252D2BCF1B0, 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 0x00000252D2BD60C0, 16 bytes long.
 Data: <&#216;T&#189;&#210;R           > D8 54 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000252D2BD6570, 16 bytes long.
 Data: <&#176;T&#189;&#210;R           > B0 54 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000252D2BD61B0, 16 bytes long.
 Data: < T&#189;&#210;R           > 88 54 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000252D2BD6340, 16 bytes long.
 Data: <`T&#189;&#210;R           > 60 54 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000252D2BD48F0, 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 0x00000252D2BD6480, 16 bytes long.
 Data: <8 &#188;&#210;R           > 38 8F BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000252D2BCED30, 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 0x00000252D2BD5E40, 16 bytes long.
 Data: <  &#188;&#210;R           > 10 8F BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000252D2BD5D00, 16 bytes long.
 Data: <&#232;&#142;&#188;&#210;R           > E8 8E BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000252D2BD5E90, 16 bytes long.
 Data: <&#192;&#142;&#188;&#210;R           > C0 8E BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000252D2BD58A0, 16 bytes long.
 Data: < &#142;&#188;&#210;R           > 98 8E BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000252D2BD5DA0, 16 bytes long.
 Data: <p&#142;&#188;&#210;R           > 70 8E BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000252D2BD5D50, 16 bytes long.
 Data: <H&#142;&#188;&#210;R           > 48 8E BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000252D2BCF2D0, 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 0x00000252D2BD5DF0, 16 bytes long.
 Data: < &#142;&#188;&#210;R           > 20 8E BC D2 52 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000252D2BC8E20, 320 bytes long.
 Data: <&#240;]&#189;&#210;R   &#208;&#242;&#188;&#210;R   > F0 5D BD D2 52 02 00 00 D0 F2 BC D2 52 02 00 00 
{273} normal block at 0x00000252D2BD6390, 16 bytes long.
 Data: <@T&#189;&#210;R           > 40 54 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000252D2BD6520, 16 bytes long.
 Data: < T&#189;&#210;R           > 18 54 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000252D2BCED90, 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 0x00000252D2BD5CB0, 16 bytes long.
 Data: <&#240;S&#189;&#210;R           > F0 53 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000252D2BCE790, 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 0x00000252D2BD5BC0, 16 bytes long.
 Data: <8S&#189;&#210;R           > 38 53 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000252D2BD5C60, 16 bytes long.
 Data: < S&#189;&#210;R           > 10 53 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000252D2BD5A30, 16 bytes long.
 Data: <&#232;R&#189;&#210;R           > E8 52 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000252D2BD5C10, 16 bytes long.
 Data: <&#192;R&#189;&#210;R           > C0 52 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000252D2BCFDD0, 16 bytes long.
 Data: < R&#189;&#210;R           > 98 52 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000252D2BCFC40, 16 bytes long.
 Data: <pR&#189;&#210;R           > 70 52 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000252D2BCFD30, 16 bytes long.
 Data: <@J&#189;&#210;R           > 40 4A BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000252D2BD4A40, 40 bytes long.
 Data: <0&#253;&#188;&#210;R    :&#159;&#212;R   > 30 FD BC D2 52 02 00 00 90 3A 9F D4 52 02 00 00 
{259} normal block at 0x00000252D2BCFB50, 16 bytes long.
 Data: <PR&#189;&#210;R           > 50 52 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000252D2BD0370, 16 bytes long.
 Data: <(R&#189;&#210;R           > 28 52 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000252D2BCEAF0, 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 0x00000252D2BCFA60, 16 bytes long.
 Data: < R&#189;&#210;R           > 00 52 BD D2 52 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000252D2BD5200, 992 bytes long.
 Data: <`&#250;&#188;&#210;R   &#240;&#234;&#188;&#210;R   > 60 FA BC D2 52 02 00 00 F0 EA BC D2 52 02 00 00 
{91} normal block at 0x00000252D2BCE670, 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 0x00000252D2BCFD80, 16 bytes long.
 Data: <p&#238;&#187;&#210;R           > 70 EE BB D2 52 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000252D2BBEE70, 40 bytes long.
 Data: < &#253;&#188;&#210;R   p&#230;&#188;&#210;R   > 80 FD BC D2 52 02 00 00 70 E6 BC D2 52 02 00 00 
{68} normal block at 0x00000252D2BCF600, 16 bytes long.
 Data: < &#234;&#140; &#247;           > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000252D2BCFEC0, 16 bytes long.
 Data: <@&#233;&#140; &#247;           > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000252D2BCF7E0, 16 bytes long.
 Data: <&#248;W&#137; &#247;           > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000252D2BD04B0, 16 bytes long.
 Data: <&#216;W&#137; &#247;           > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000252D2BCFF60, 16 bytes long.
 Data: <P &#137; &#247;           > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000252D2BCF9C0, 16 bytes long.
 Data: <0 &#137; &#247;           > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000252D2BCFFB0, 16 bytes long.
 Data: <&#224; &#137; &#247;           > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000252D2BD0140, 16 bytes long.
 Data: <  &#137; &#247;           > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000252D2BCF790, 16 bytes long.
 Data: <p &#137; &#247;           > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000252D2BCFCE0, 16 bytes long.
 Data: < &#192;&#135; &#247;           > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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