Task 38661155

Name test_751-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND9384_0
Workunit 31604592
Created 24 Oct 2026, 15:19:03 UTC
Sent 24 Oct 2026, 17:36:49 UTC
Report deadline 29 Oct 2026, 17:36:49 UTC
Received 24 Oct 2026, 20:54:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 48 sec
CPU time 32 min 34 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 682.91 MB
Peak swap size 3.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:38:59 (984): wrapper (7.9.26016): starting
01:38:59 (984): 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
01:39:01 (984): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:39:01 (984): 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 'D:\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 'D:\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
02:11:54 (984): C:/Windows/system32/cmd.exe exited; CPU time 1954.156250
02:11:54 (984): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25719103 bytes.
Dumping objects ->
{3835056} normal block at 0x000001B22B12E330, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x000001B22B12E790, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x000001B22B12E410, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x000001B22B12E4F0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x000001B22965C2B0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x000001B22B295FC0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x000001B22965A780, 200 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) : {3834967} normal block at 0x000001B229657D90, 8 bytes long.
 Data: <   +&#178;   > 00 00 13 2B B2 01 00 00 
{3834466} normal block at 0x000001B229658CF0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x000001B229657F20, 8 bytes long.
 Data: <&#224;82+&#178;   > E0 38 32 2B B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x000001B229662F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B22964A9E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x000001B229664600, 16 bytes long.
 Data: <&#184;Qf)&#178;           > B8 51 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B2296644C0, 16 bytes long.
 Data: < Qf)&#178;           > 90 51 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B22965EC10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x000001B2296640B0, 16 bytes long.
 Data: <hQf)&#178;           > 68 51 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B229664100, 16 bytes long.
 Data: <@Qf)&#178;           > 40 51 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B229664830, 16 bytes long.
 Data: < Qf)&#178;           > 18 51 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B229664B00, 16 bytes long.
 Data: <&#240;Pf)&#178;           > F0 50 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B22965C390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x000001B2296641A0, 16 bytes long.
 Data: <&#248;&#189;d)&#178;           > F8 BD 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B22965ECD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x000001B229664290, 16 bytes long.
 Data: <&#208;&#189;d)&#178;           > D0 BD 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B229663F70, 16 bytes long.
 Data: <&#168;&#189;d)&#178;           > A8 BD 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B229663F20, 16 bytes long.
 Data: < &#189;d)&#178;           > 80 BD 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B2296647E0, 16 bytes long.
 Data: <X&#189;d)&#178;           > 58 BD 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001B229664DD0, 16 bytes long.
 Data: <0&#189;d)&#178;           > 30 BD 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B229664470, 16 bytes long.
 Data: < &#189;d)&#178;           > 08 BD 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B22965EB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x000001B229664C40, 16 bytes long.
 Data: <&#224;&#188;d)&#178;           > E0 BC 64 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B22964BCE0, 320 bytes long.
 Data: <@Lf)&#178;   P&#235;e)&#178;   > 40 4C 66 29 B2 01 00 00 50 EB 65 29 B2 01 00 00 
{267} normal block at 0x000001B229664560, 16 bytes long.
 Data: <&#208;Pf)&#178;           > D0 50 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B229664920, 16 bytes long.
 Data: <&#168;Pf)&#178;           > A8 50 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B22965DF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x000001B229664970, 16 bytes long.
 Data: < Pf)&#178;           > 80 50 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B22965E310, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x000001B229664BF0, 16 bytes long.
 Data: <&#200;Of)&#178;           > C8 4F 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B229664060, 16 bytes long.
 Data: <&#160;Of)&#178;           > A0 4F 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B229664150, 16 bytes long.
 Data: <xOf)&#178;           > 78 4F 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B229664740, 16 bytes long.
 Data: <POf)&#178;           > 50 4F 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B229664510, 16 bytes long.
 Data: <(Of)&#178;           > 28 4F 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B229664CE0, 16 bytes long.
 Data: < Of)&#178;           > 00 4F 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B229664420, 16 bytes long.
 Data: <P&#190;e)&#178;           > 50 BE 65 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B22965BE50, 40 bytes long.
 Data: < Df)&#178;   &#192;_)+&#178;   > 20 44 66 29 B2 01 00 00 C0 5F 29 2B B2 01 00 00 
{253} normal block at 0x000001B2296643D0, 16 bytes long.
 Data: <&#224;Nf)&#178;           > E0 4E 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B229664790, 16 bytes long.
 Data: <&#184;Nf)&#178;           > B8 4E 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001B22965E670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x000001B229664D80, 16 bytes long.
 Data: < Nf)&#178;           > 90 4E 66 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000001B229664E90, 992 bytes long.
 Data: < Mf)&#178;   p&#230;e)&#178;   > 80 4D 66 29 B2 01 00 00 70 E6 65 29 B2 01 00 00 
{85} normal block at 0x000001B22965ED30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x000001B2296577F0, 16 bytes long.
 Data: <p&#189;e)&#178;           > 70 BD 65 29 B2 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x000001B22965BD70, 40 bytes long.
 Data: <&#240;we)&#178;   0&#237;e)&#178;   > F0 77 65 29 B2 01 00 00 30 ED 65 29 B2 01 00 00 
{62} normal block at 0x000001B2296577A0, 16 bytes long.
 Data: < &#234;54&#247;           > 80 EA 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001B2296576B0, 16 bytes long.
 Data: <@&#233;54&#247;           > 40 E9 35 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001B229657200, 16 bytes long.
 Data: <&#248;W24&#247;           > F8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001B2296571B0, 16 bytes long.
 Data: <&#216;W24&#247;           > D8 57 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001B229657C00, 16 bytes long.
 Data: <P 24&#247;           > 50 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001B229657660, 16 bytes long.
 Data: <0 24&#247;           > 30 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001B229657CF0, 16 bytes long.
 Data: <&#224; 24&#247;           > E0 02 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001B229657ED0, 16 bytes long.
 Data: <  24&#247;           > 10 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001B229657160, 16 bytes long.
 Data: <p 24&#247;           > 70 04 32 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001B229657AC0, 16 bytes long.
 Data: < &#192;04&#247;           > 18 C0 30 34 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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