Task 38646223

Name test_340-GPUGRID_TEST_ATM_1000_20261023-0-1-RND9237_0
Workunit 31591177
Created 23 Oct 2026, 16:28:56 UTC
Sent 23 Oct 2026, 17:03:20 UTC
Report deadline 28 Oct 2026, 17:03:20 UTC
Received 23 Oct 2026, 17:24:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 20 min 26 sec
CPU time 18 min 14 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.88 MB
Peak swap size 9.91 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:04:26 (36472): wrapper (7.9.26016): starting
14:04:26 (36472): 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
14:04:27 (36472): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:04:27 (36472): 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\2\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\2\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
14:24:12 (36472): C:/Windows/system32/cmd.exe exited; CPU time 1094.218750
14:24:12 (36472): 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: 22106079 bytes.
Dumping objects ->
{3835223} normal block at 0x0000029970521020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000299705214F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000029970520A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x00000299705211E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x00000299705207D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x00000299705CB540, 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) : {3835135} normal block at 0x000002996E75BB10, 8 bytes long.
 Data: <  &#200;n    > 00 00 C8 6E 99 02 00 00 
{3833977} normal block at 0x000002996E75BED0, 8 bytes long.
 Data: < afp    > 00 61 66 70 99 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000002996E75DA00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000002996E7574B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000002996E7646B0, 16 bytes long.
 Data: <&#168;Rvn            > A8 52 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000002996E763E90, 16 bytes long.
 Data: < Rvn            > 80 52 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002996E75DEC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000002996E763D50, 16 bytes long.
 Data: <XRvn            > 58 52 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002996E763CB0, 16 bytes long.
 Data: <0Rvn            > 30 52 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002996E7642F0, 16 bytes long.
 Data: < Rvn            > 08 52 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002996E7648E0, 16 bytes long.
 Data: <&#224;Qvn            > E0 51 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002996E75EE20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000002996E763DF0, 16 bytes long.
 Data: <h un            > 68 08 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002996E75E6A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000002996E763FD0, 16 bytes long.
 Data: <@ un            > 40 08 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002996E764890, 16 bytes long.
 Data: <  un            > 18 08 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002996E7647A0, 16 bytes long.
 Data: <&#240; un            > F0 07 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002996E764480, 16 bytes long.
 Data: <&#200; un            > C8 07 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002996E764660, 16 bytes long.
 Data: <&#160; un            > A0 07 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002996E764750, 16 bytes long.
 Data: <x un            > 78 07 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002996E75E0A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000002996E764AC0, 16 bytes long.
 Data: <P un            > 50 07 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002996E750750, 320 bytes long.
 Data: <&#192;Jvn    &#160;&#224;un    > C0 4A 76 6E 99 02 00 00 A0 E0 75 6E 99 02 00 00 
{284} normal block at 0x000002996E764840, 16 bytes long.
 Data: <&#192;Qvn            > C0 51 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002996E764A20, 16 bytes long.
 Data: < Qvn            > 98 51 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002996E75DE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000002996E7644D0, 16 bytes long.
 Data: <pQvn            > 70 51 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002996E75E040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000002996E764430, 16 bytes long.
 Data: <&#184;Pvn            > B8 50 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002996E764110, 16 bytes long.
 Data: < Pvn            > 90 50 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002996E7645C0, 16 bytes long.
 Data: <hPvn            > 68 50 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002996E7647F0, 16 bytes long.
 Data: <@Pvn            > 40 50 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002996E764610, 16 bytes long.
 Data: < Pvn            > 18 50 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002996E7641B0, 16 bytes long.
 Data: <&#240;Ovn            > F0 4F 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002996E764340, 16 bytes long.
 Data: <@&#244;un            > 40 F4 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002996E75F440, 40 bytes long.
 Data: <@Cvn    @&#181;\p    > 40 43 76 6E 99 02 00 00 40 B5 5C 70 99 02 00 00 
{270} normal block at 0x000002996E764570, 16 bytes long.
 Data: <&#208;Ovn            > D0 4F 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002996E763D00, 16 bytes long.
 Data: <&#168;Ovn            > A8 4F 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002996E75E640, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000002996E763C60, 16 bytes long.
 Data: < Ovn            > 80 4F 76 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002996E764F80, 992 bytes long.
 Data: <`<vn    @&#230;un    > 60 3C 76 6E 99 02 00 00 40 E6 75 6E 99 02 00 00 
{102} normal block at 0x000002996E75E8E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000002996E75C5B0, 16 bytes long.
 Data: < &#239;un            > 00 EF 75 6E 99 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000002996E75EF00, 40 bytes long.
 Data: <&#176;&#197;un    &#224;&#232;un    > B0 C5 75 6E 99 02 00 00 E0 E8 75 6E 99 02 00 00 
{79} normal block at 0x000002996E75BB60, 16 bytes long.
 Data: < &#234;+&#146;&#246;           > 80 EA 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002996E75BA70, 16 bytes long.
 Data: <@&#233;+&#146;&#246;           > 40 E9 2B 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002996E75B9D0, 16 bytes long.
 Data: <&#248;W(&#146;&#246;           > F8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002996E75B930, 16 bytes long.
 Data: <&#216;W(&#146;&#246;           > D8 57 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002996E75BFC0, 16 bytes long.
 Data: <P (&#146;&#246;           > 50 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002996E75C420, 16 bytes long.
 Data: <0 (&#146;&#246;           > 30 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002996E75BA20, 16 bytes long.
 Data: <&#224; (&#146;&#246;           > E0 02 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002996E75BAC0, 16 bytes long.
 Data: <  (&#146;&#246;           > 10 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002996E75C100, 16 bytes long.
 Data: <p (&#146;&#246;           > 70 04 28 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002996E75BCA0, 16 bytes long.
 Data: < &#192;&&#146;&#246;           > 18 C0 26 92 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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