Task 38661132

Name test_970-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND8223_0
Workunit 31604571
Created 24 Oct 2026, 15:16:15 UTC
Sent 24 Oct 2026, 15:22:27 UTC
Report deadline 29 Oct 2026, 15:22:27 UTC
Received 24 Oct 2026, 22:05:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627736
Run time 1 hours 21 min 54 sec
CPU time 1 hours 20 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.89 MB
Peak swap size 9.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:29:50 (12132): wrapper (7.9.26016): starting
10:29:50 (12132): 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
10:29:51 (12132): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:29:51 (12132): 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
11:50:47 (12132): C:/Windows/system32/cmd.exe exited; CPU time 4849.390625
11:50:47 (12132): 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: 92417897 bytes.
Dumping objects ->
{3835186} normal block at 0x000002B816F0CF10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002B815194440, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000002B815194360, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835153} normal block at 0x000002B8151948A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835142} normal block at 0x000002B815194830, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835111} normal block at 0x000002B816F58620, 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) : {3835098} normal block at 0x000002B81518ED30, 8 bytes long.
 Data: <  } &#184;   > 00 00 7D 15 B8 02 00 00 
{3833959} normal block at 0x000002B81518EE20, 8 bytes long.
 Data: <&#208;;&#251; &#184;   > D0 3B FB 16 B8 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002B815190580, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002B815186690, 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 0x000002B815195A30, 16 bytes long.
 Data: < d  &#184;           > 08 64 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002B815195AD0, 16 bytes long.
 Data: <&#224;c  &#184;           > E0 63 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002B81518F850, 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 0x000002B815195850, 16 bytes long.
 Data: <&#184;c  &#184;           > B8 63 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002B815195C60, 16 bytes long.
 Data: < c  &#184;           > 90 63 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002B8151956C0, 16 bytes long.
 Data: <hc  &#184;           > 68 63 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B8151959E0, 16 bytes long.
 Data: <@c  &#184;           > 40 63 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002B815194750, 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 0x000002B815195670, 16 bytes long.
 Data: <&#216;   &#184;           > D8 8D 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B81518FAF0, 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 0x000002B815195A80, 16 bytes long.
 Data: <&#176;   &#184;           > B0 8D 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B815195210, 16 bytes long.
 Data: <    &#184;           > 88 8D 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B815195990, 16 bytes long.
 Data: <`   &#184;           > 60 8D 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B815195300, 16 bytes long.
 Data: <8   &#184;           > 38 8D 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002B815195580, 16 bytes long.
 Data: <    &#184;           > 10 8D 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B815195EE0, 16 bytes long.
 Data: <&#232;&#140;  &#184;           > E8 8C 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002B81518FC10, 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 0x000002B8151957B0, 16 bytes long.
 Data: <&#192;&#140;  &#184;           > C0 8C 18 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B815188CC0, 320 bytes long.
 Data: <&#176;W  &#184;    &#252;  &#184;   > B0 57 19 15 B8 02 00 00 10 FC 18 15 B8 02 00 00 
{275} normal block at 0x000002B815195350, 16 bytes long.
 Data: < c  &#184;           > 20 63 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B815195E40, 16 bytes long.
 Data: <&#248;b  &#184;           > F8 62 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B81518F730, 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 0x000002B815195940, 16 bytes long.
 Data: <&#208;b  &#184;           > D0 62 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B81518F7F0, 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 0x000002B8151958A0, 16 bytes long.
 Data: < b  &#184;           > 18 62 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B8151958F0, 16 bytes long.
 Data: <&#240;a  &#184;           > F0 61 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002B8151951C0, 16 bytes long.
 Data: <&#200;a  &#184;           > C8 61 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B8151955D0, 16 bytes long.
 Data: <&#160;a  &#184;           > A0 61 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B815195620, 16 bytes long.
 Data: <xa  &#184;           > 78 61 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002B815195490, 16 bytes long.
 Data: <Pa  &#184;           > 50 61 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002B815195800, 16 bytes long.
 Data: < I  &#184;           > 10 49 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B815194910, 40 bytes long.
 Data: < X  &#184;    &#134;&#245; &#184;   > 00 58 19 15 B8 02 00 00 20 86 F5 16 B8 02 00 00 
{261} normal block at 0x000002B815195440, 16 bytes long.
 Data: <0a  &#184;           > 30 61 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B8151953F0, 16 bytes long.
 Data: < a  &#184;           > 08 61 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B81518F430, 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 0x000002B815195C10, 16 bytes long.
 Data: <&#224;`  &#184;           > E0 60 19 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002B8151960E0, 992 bytes long.
 Data: < \  &#184;   0&#244;  &#184;   > 10 5C 19 15 B8 02 00 00 30 F4 18 15 B8 02 00 00 
{93} normal block at 0x000002B8151900F0, 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 0x000002B81518E9C0, 16 bytes long.
 Data: < &#229;  &#184;           > 20 E5 17 15 B8 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002B81517E520, 40 bytes long.
 Data: <&#192;&#233;  &#184;   &#240;   &#184;   > C0 E9 18 15 B8 02 00 00 F0 00 19 15 B8 02 00 00 
{70} normal block at 0x000002B81518E920, 16 bytes long.
 Data: < &#234;&#236;&#151;&#246;           > 80 EA EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002B81518F190, 16 bytes long.
 Data: <@&#233;&#236;&#151;&#246;           > 40 E9 EC 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002B81518E970, 16 bytes long.
 Data: <&#248;W&#233;&#151;&#246;           > F8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002B81518F370, 16 bytes long.
 Data: <&#216;W&#233;&#151;&#246;           > D8 57 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002B81518EF60, 16 bytes long.
 Data: <P &#233;&#151;&#246;           > 50 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002B81518EC40, 16 bytes long.
 Data: <0 &#233;&#151;&#246;           > 30 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002B81518E880, 16 bytes long.
 Data: <&#224; &#233;&#151;&#246;           > E0 02 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002B81518EBA0, 16 bytes long.
 Data: <  &#233;&#151;&#246;           > 10 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B81518E5B0, 16 bytes long.
 Data: <p &#233;&#151;&#246;           > 70 04 E9 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B81518EB00, 16 bytes long.
 Data: < &#192;&#231;&#151;&#246;           > 18 C0 E7 97 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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