Task 38677218

Name test_945-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2822_0
Workunit 31619099
Created 26 Oct 2026, 13:39:20 UTC
Sent 26 Oct 2026, 13:39:27 UTC
Report deadline 31 Oct 2026, 13:39:27 UTC
Received 26 Oct 2026, 15:10:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 31 min 34 sec
CPU time 31 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.14 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
07:41:03 (42740): wrapper (7.9.26016): starting
07:41:03 (42740): 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
07:41:05 (42740): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:41:05 (42740): 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\7\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\7\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
08:09:17 (42740): C:/Windows/system32/cmd.exe exited; CPU time 1894.343750
08:09:17 (42740): 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: 28668477 bytes.
Dumping objects ->
{3835233} normal block at 0x0000021690B50DF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000021690B512C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000021690B516B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000021690B51410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000021690B50F40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000021690C45A90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000021690C5D280, 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) : {3835144} normal block at 0x000002168F038600, 8 bytes long.
 Data: <  &#250;&#142;    > 00 00 FA 8E 16 02 00 00 
{3834540} normal block at 0x0000021690C5D540, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002168F037BB0, 8 bytes long.
 Data: <&#160;&#187;      > A0 BB 02 8F 16 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002168F025F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002168F02B960, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002168F0434F0, 16 bytes long.
 Data: < S              > 88 53 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002168F043720, 16 bytes long.
 Data: <`S              > 60 53 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002168F03D1A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002168F043D60, 16 bytes long.
 Data: <8S              > 38 53 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002168F043D10, 16 bytes long.
 Data: < S              > 10 53 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002168F043270, 16 bytes long.
 Data: <&#232;R              > E8 52 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002168F0436D0, 16 bytes long.
 Data: <&#192;R              > C0 52 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002168F03E830, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002168F043180, 16 bytes long.
 Data: <X&#207;              > 58 CF 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002168F03CA20, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002168F043CC0, 16 bytes long.
 Data: <0&#207;              > 30 CF 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002168F043630, 16 bytes long.
 Data: < &#207;              > 08 CF 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002168F043450, 16 bytes long.
 Data: <&#224;&#206;              > E0 CE 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002168F0435E0, 16 bytes long.
 Data: <&#184;&#206;              > B8 CE 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002168F043C70, 16 bytes long.
 Data: < &#206;              > 90 CE 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002168F043C20, 16 bytes long.
 Data: <h&#206;              > 68 CE 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002168F03D740, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002168F0439A0, 16 bytes long.
 Data: <@&#206;              > 40 CE 02 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002168F02CE40, 320 bytes long.
 Data: <&#160;9      @&#215;      > A0 39 04 8F 16 02 00 00 40 D7 03 8F 16 02 00 00 
{275} normal block at 0x000002168F043900, 16 bytes long.
 Data: <&#160;R              > A0 52 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002168F043BD0, 16 bytes long.
 Data: <xR              > 78 52 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002168F03C840, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002168F043F40, 16 bytes long.
 Data: <PR              > 50 52 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002168F03C8A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002168F0434A0, 16 bytes long.
 Data: < Q              > 98 51 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002168F0431D0, 16 bytes long.
 Data: <pQ              > 70 51 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002168F043FE0, 16 bytes long.
 Data: <HQ              > 48 51 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002168F0432C0, 16 bytes long.
 Data: < Q              > 20 51 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002168F043090, 16 bytes long.
 Data: <&#248;P              > F8 50 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002168F043400, 16 bytes long.
 Data: <&#208;P              > D0 50 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002168F043770, 16 bytes long.
 Data: <&#192;&#231;              > C0 E7 03 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002168F03E7C0, 40 bytes long.
 Data: <p7       Z&#196;     > 70 37 04 8F 16 02 00 00 90 5A C4 90 16 02 00 00 
{261} normal block at 0x000002168F0430E0, 16 bytes long.
 Data: <&#176;P              > B0 50 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002168F043590, 16 bytes long.
 Data: < P              > 88 50 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002168F03C9C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002168F043AE0, 16 bytes long.
 Data: <`P              > 60 50 04 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002168F045060, 992 bytes long.
 Data: <&#224;:      &#192;&#201;      > E0 3A 04 8F 16 02 00 00 C0 C9 03 8F 16 02 00 00 
{93} normal block at 0x000002168F03D500, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002168F0387E0, 16 bytes long.
 Data: <P&#231;              > 50 E7 03 8F 16 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002168F03E750, 40 bytes long.
 Data: <&#224;&#135;       &#213;      > E0 87 03 8F 16 02 00 00 00 D5 03 8F 16 02 00 00 
{70} normal block at 0x000002168F038330, 16 bytes long.
 Data: < &#234; &#245;&#247;           > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002168F037B60, 16 bytes long.
 Data: <@&#233; &#245;&#247;           > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002168F038560, 16 bytes long.
 Data: <&#248;W&#253;&#244;&#247;           > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002168F038510, 16 bytes long.
 Data: <&#216;W&#253;&#244;&#247;           > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002168F0381A0, 16 bytes long.
 Data: <P &#253;&#244;&#247;           > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002168F0389C0, 16 bytes long.
 Data: <0 &#253;&#244;&#247;           > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002168F038970, 16 bytes long.
 Data: <&#224; &#253;&#244;&#247;           > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002168F037C50, 16 bytes long.
 Data: <  &#253;&#244;&#247;           > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002168F037ED0, 16 bytes long.
 Data: <p &#253;&#244;&#247;           > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002168F037D40, 16 bytes long.
 Data: < &#192;&#251;&#244;&#247;           > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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