Task 38685486

Name test_969-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2052_0
Workunit 31626952
Created 27 Oct 2026, 21:17:12 UTC
Sent 27 Oct 2026, 21:17:14 UTC
Report deadline 1 Nov 2026, 21:17:14 UTC
Received 27 Oct 2026, 23:16:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 57 min 40 sec
CPU time 52 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.04 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
18:18:01 (61028): wrapper (7.9.26016): starting
18:18:01 (61028): 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
18:18:02 (61028): Library/usr/bin/tar.exe exited; CPU time 0.031250
18:18:02 (61028): 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
19:15:56 (61028): C:/Windows/system32/cmd.exe exited; CPU time 3130.312500
19:15:56 (61028): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 82893887 bytes.
Dumping objects ->
{3835500} normal block at 0x0000012D56944A40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000012D56944960, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x0000012D56944650, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x0000012D569445E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000012D569448F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x0000012D586E49F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835412} normal block at 0x0000012D5693EBA0, 8 bytes long.
 Data: <   V-   > 00 00 8F 56 2D 01 00 00 
{3833959} normal block at 0x0000012D5693F500, 8 bytes long.
 Data: <&#176;&#223;_X-   > B0 DF 5F 58 2D 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000012D56940F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000012D569368F0, 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 0x0000012D56946240, 16 bytes long.
 Data: <&#184;g&#148;V-           > B8 67 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000012D56945A70, 16 bytes long.
 Data: < g&#148;V-           > 90 67 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000012D56940430, 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 0x0000012D56945A20, 16 bytes long.
 Data: <hg&#148;V-           > 68 67 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000012D569461F0, 16 bytes long.
 Data: <@g&#148;V-           > 40 67 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000012D56945840, 16 bytes long.
 Data: < g&#148;V-           > 18 67 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000012D569461A0, 16 bytes long.
 Data: <&#240;f&#148;V-           > F0 66 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000012D56944B90, 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 0x0000012D56945930, 16 bytes long.
 Data: <&#232;&#180;&#146;V-           > E8 B4 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000012D56940370, 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 0x0000012D569463D0, 16 bytes long.
 Data: <&#192;&#180;&#146;V-           > C0 B4 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000012D56945570, 16 bytes long.
 Data: < &#180;&#146;V-           > 98 B4 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000012D56945610, 16 bytes long.
 Data: <p&#180;&#146;V-           > 70 B4 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000012D56945D40, 16 bytes long.
 Data: <H&#180;&#146;V-           > 48 B4 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000012D56945980, 16 bytes long.
 Data: < &#180;&#146;V-           > 20 B4 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000012D569458E0, 16 bytes long.
 Data: <&#248;&#179;&#146;V-           > F8 B3 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000012D5693FFB0, 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 0x0000012D569459D0, 16 bytes long.
 Data: <&#208;&#179;&#146;V-           > D0 B3 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000012D5692B3D0, 320 bytes long.
 Data: <&#208;Y&#148;V-   &#176;&#255;&#147;V-   > D0 59 94 56 2D 01 00 00 B0 FF 93 56 2D 01 00 00 
{275} normal block at 0x0000012D56945660, 16 bytes long.
 Data: <&#208;f&#148;V-           > D0 66 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000012D56945AC0, 16 bytes long.
 Data: <&#168;f&#148;V-           > A8 66 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000012D569400D0, 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 0x0000012D569460B0, 16 bytes long.
 Data: < f&#148;V-           > 80 66 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000012D5693FCB0, 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 0x0000012D56946150, 16 bytes long.
 Data: <&#200;e&#148;V-           > C8 65 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000012D56946420, 16 bytes long.
 Data: <&#160;e&#148;V-           > A0 65 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000012D56946380, 16 bytes long.
 Data: <xe&#148;V-           > 78 65 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000012D56945F70, 16 bytes long.
 Data: <Pe&#148;V-           > 50 65 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000012D56945B60, 16 bytes long.
 Data: <(e&#148;V-           > 28 65 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000012D56945DE0, 16 bytes long.
 Data: < e&#148;V-           > 00 65 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000012D569462E0, 16 bytes long.
 Data: <&#224;L&#148;V-           > E0 4C 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000012D56944CE0, 40 bytes long.
 Data: <&#224;b&#148;V-   &#240;InX-   > E0 62 94 56 2D 01 00 00 F0 49 6E 58 2D 01 00 00 
{261} normal block at 0x0000012D56946100, 16 bytes long.
 Data: <&#224;d&#148;V-           > E0 64 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000012D56946060, 16 bytes long.
 Data: <&#184;d&#148;V-           > B8 64 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000012D5693FA70, 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 0x0000012D56945F20, 16 bytes long.
 Data: < d&#148;V-           > 90 64 94 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000012D56946490, 992 bytes long.
 Data: < _&#148;V-   p&#250;&#147;V-   > 20 5F 94 56 2D 01 00 00 70 FA 93 56 2D 01 00 00 
{93} normal block at 0x0000012D5693F710, 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 0x0000012D5693EFB0, 16 bytes long.
 Data: <0&#198;&#146;V-           > 30 C6 92 56 2D 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000012D5692C630, 40 bytes long.
 Data: <&#176;&#239;&#147;V-    &#247;&#147;V-   > B0 EF 93 56 2D 01 00 00 10 F7 93 56 2D 01 00 00 
{70} normal block at 0x0000012D5693F3C0, 16 bytes long.
 Data: < &#234;&#203;e&#247;           > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000012D5693F050, 16 bytes long.
 Data: <@&#233;&#203;e&#247;           > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000012D5693E7E0, 16 bytes long.
 Data: <&#248;W&#200;e&#247;           > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000012D5693F230, 16 bytes long.
 Data: <&#216;W&#200;e&#247;           > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000012D5693F370, 16 bytes long.
 Data: <P &#200;e&#247;           > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000012D5693EEC0, 16 bytes long.
 Data: <0 &#200;e&#247;           > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000012D5693F0A0, 16 bytes long.
 Data: <&#224; &#200;e&#247;           > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000012D5693EB50, 16 bytes long.
 Data: <  &#200;e&#247;           > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000012D5693EE70, 16 bytes long.
 Data: <p &#200;e&#247;           > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000012D5693E9C0, 16 bytes long.
 Data: < &#192;&#198;e&#247;           > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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