Task 38661488

Name test_875-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND9650_0
Workunit 31604903
Created 24 Oct 2026, 15:50:31 UTC
Sent 24 Oct 2026, 15:58:13 UTC
Report deadline 29 Oct 2026, 15:58:13 UTC
Received 25 Oct 2026, 23:52:57 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646090
Run time 35 min 38 sec
CPU time 33 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.46 MB
Peak swap size 6.90 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:16:39 (32208): wrapper (7.9.26016): starting
16:16:39 (32208): 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
16:16:40 (32208): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:16:40 (32208): 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
16:52:26 (32208): C:/Windows/system32/cmd.exe exited; CPU time 2006.703125
16:52:26 (32208): 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: 45061883 bytes.
Dumping objects ->
{3835211} normal block at 0x00000291C43C6080, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x00000291C43C66A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000291C43C6390, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835178} normal block at 0x00000291C43C6710, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x00000291C43C62B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835136} normal block at 0x00000291C43C5100, 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) : {3835123} normal block at 0x00000291C260E1E0, 8 bytes long.
 Data: <  &#174;&#194;&#145;   > 00 00 AE C2 91 02 00 00 
{3833973} normal block at 0x00000291C260EFF0, 8 bytes long.
 Data: <@Y?&#196;&#145;   > 40 59 3F C4 91 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000291C2611DB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000291C2607710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x00000291C2617620, 16 bytes long.
 Data: <H{a&#194;&#145;           > 48 7B 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000291C2616900, 16 bytes long.
 Data: < {a&#194;&#145;           > 20 7B 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000291C26116E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x00000291C2616F90, 16 bytes long.
 Data: <&#248;za&#194;&#145;           > F8 7A 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000291C2616DB0, 16 bytes long.
 Data: <&#208;za&#194;&#145;           > D0 7A 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000291C2617300, 16 bytes long.
 Data: <&#168;za&#194;&#145;           > A8 7A 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000291C2616B80, 16 bytes long.
 Data: < za&#194;&#145;           > 80 7A 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000291C2615310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x00000291C2617260, 16 bytes long.
 Data: <&#216;&#254;_&#194;&#145;           > D8 FE 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000291C2610A80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x00000291C26174E0, 16 bytes long.
 Data: <&#176;&#254;_&#194;&#145;           > B0 FE 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000291C2616A40, 16 bytes long.
 Data: < &#254;_&#194;&#145;           > 88 FE 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000291C2616D60, 16 bytes long.
 Data: <`&#254;_&#194;&#145;           > 60 FE 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000291C2617210, 16 bytes long.
 Data: <8&#254;_&#194;&#145;           > 38 FE 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000291C26175D0, 16 bytes long.
 Data: < &#254;_&#194;&#145;           > 10 FE 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000291C2617350, 16 bytes long.
 Data: <&#232;&#253;_&#194;&#145;           > E8 FD 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000291C26114A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x00000291C2617120, 16 bytes long.
 Data: <&#192;&#253;_&#194;&#145;           > C0 FD 5F C2 91 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000291C25FFDC0, 320 bytes long.
 Data: < qa&#194;&#145;   &#160; a&#194;&#145;   > 20 71 61 C2 91 02 00 00 A0 14 61 C2 91 02 00 00 
{282} normal block at 0x00000291C26170D0, 16 bytes long.
 Data: <`za&#194;&#145;           > 60 7A 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000291C2616AE0, 16 bytes long.
 Data: <8za&#194;&#145;           > 38 7A 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000291C26108A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x00000291C2617030, 16 bytes long.
 Data: < za&#194;&#145;           > 10 7A 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000291C2610D80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x00000291C2617530, 16 bytes long.
 Data: <Xya&#194;&#145;           > 58 79 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000291C26169F0, 16 bytes long.
 Data: <0ya&#194;&#145;           > 30 79 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000291C2617710, 16 bytes long.
 Data: < ya&#194;&#145;           > 08 79 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000291C26168B0, 16 bytes long.
 Data: <&#224;xa&#194;&#145;           > E0 78 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000291C2617440, 16 bytes long.
 Data: <&#184;xa&#194;&#145;           > B8 78 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000291C2617080, 16 bytes long.
 Data: < xa&#194;&#145;           > 90 78 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000291C2616CC0, 16 bytes long.
 Data: <PQa&#194;&#145;           > 50 51 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000291C2615150, 40 bytes long.
 Data: <&#192;la&#194;&#145;    Q<&#196;&#145;   > C0 6C 61 C2 91 02 00 00 00 51 3C C4 91 02 00 00 
{268} normal block at 0x00000291C2616860, 16 bytes long.
 Data: <pxa&#194;&#145;           > 70 78 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000291C2616E50, 16 bytes long.
 Data: <Hxa&#194;&#145;           > 48 78 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000291C2611620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x00000291C2617670, 16 bytes long.
 Data: < xa&#194;&#145;           > 20 78 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000291C2617820, 992 bytes long.
 Data: <pva&#194;&#145;     a&#194;&#145;   > 70 76 61 C2 91 02 00 00 20 16 61 C2 91 02 00 00 
{100} normal block at 0x00000291C2610E40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x00000291C260E500, 16 bytes long.
 Data: < La&#194;&#145;           > 10 4C 61 C2 91 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x00000291C2614C10, 40 bytes long.
 Data: < &#229;`&#194;&#145;   @ a&#194;&#145;   > 00 E5 60 C2 91 02 00 00 40 0E 61 C2 91 02 00 00 
{77} normal block at 0x00000291C260E6E0, 16 bytes long.
 Data: < &#234;&#186;&#165;&#247;           > 80 EA BA A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000291C260EB90, 16 bytes long.
 Data: <@&#233;&#186;&#165;&#247;           > 40 E9 BA A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000291C260E5F0, 16 bytes long.
 Data: <&#248;W&#183;&#165;&#247;           > F8 57 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000291C260EF50, 16 bytes long.
 Data: <&#216;W&#183;&#165;&#247;           > D8 57 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000291C260E5A0, 16 bytes long.
 Data: <P &#183;&#165;&#247;           > 50 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000291C260E230, 16 bytes long.
 Data: <0 &#183;&#165;&#247;           > 30 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000291C260EA50, 16 bytes long.
 Data: <&#224; &#183;&#165;&#247;           > E0 02 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000291C260F090, 16 bytes long.
 Data: <  &#183;&#165;&#247;           > 10 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000291C260EB40, 16 bytes long.
 Data: <p &#183;&#165;&#247;           > 70 04 B7 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000291C260EE60, 16 bytes long.
 Data: < &#192;&#181;&#165;&#247;           > 18 C0 B5 A5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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