Task 38679501

Name test_343-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3436_0
Workunit 31621273
Created 26 Oct 2026, 20:46:50 UTC
Sent 26 Oct 2026, 20:46:58 UTC
Report deadline 31 Oct 2026, 20:46:58 UTC
Received 26 Oct 2026, 21:57:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 21 min 39 sec
CPU time 19 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 41,014.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.16 MB
Peak swap size 12.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
08:35:43 (29208): wrapper (7.9.26016): starting
08:35:43 (29208): 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
08:35:44 (29208): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:35:44 (29208): 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\34\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\34\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
08:56:31 (29208): C:/Windows/system32/cmd.exe exited; CPU time 1192.031250
08:56:31 (29208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 23073227 bytes.
Dumping objects ->
{3835653} normal block at 0x00000222A9B5D230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835642} normal block at 0x00000222A9B5D070, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835631} normal block at 0x00000222A7D647F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835620} normal block at 0x00000222A7D64780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x00000222A7D64B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835578} normal block at 0x00000222A9BA8420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x00000222A9BBE710, 102 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) : {3835564} normal block at 0x00000222A7D5F710, 8 bytes long.
 Data: <  @&#168;"   > 00 00 40 A8 22 02 00 00 
{3834735} normal block at 0x00000222A9BBF210, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x00000222A7D5F080, 8 bytes long.
 Data: <&#160;@&#214;&#167;"   > A0 40 D6 A7 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000222A7D611C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000222A7D56000, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x00000222A7D65DA0, 16 bytes long.
 Data: <&#200;g&#214;&#167;"           > C8 67 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000222A7D66110, 16 bytes long.
 Data: <&#160;g&#214;&#167;"           > A0 67 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000222A7D5D410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x00000222A7D65D00, 16 bytes long.
 Data: <xg&#214;&#167;"           > 78 67 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000222A7D65620, 16 bytes long.
 Data: <Pg&#214;&#167;"           > 50 67 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000222A7D655D0, 16 bytes long.
 Data: <(g&#214;&#167;"           > 28 67 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000222A7D65CB0, 16 bytes long.
 Data: < g&#214;&#167;"           > 00 67 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000222A7D64860, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x00000222A7D65C60, 16 bytes long.
 Data: <xS&#214;&#167;"           > 78 53 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000222A7D5D590, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x00000222A7D65850, 16 bytes long.
 Data: <PS&#214;&#167;"           > 50 53 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000222A7D65BC0, 16 bytes long.
 Data: <(S&#214;&#167;"           > 28 53 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000222A7D65F30, 16 bytes long.
 Data: < S&#214;&#167;"           > 00 53 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000222A7D662A0, 16 bytes long.
 Data: <&#216;R&#214;&#167;"           > D8 52 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000222A7D65800, 16 bytes long.
 Data: <&#176;R&#214;&#167;"           > B0 52 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000222A7D663E0, 16 bytes long.
 Data: < R&#214;&#167;"           > 88 52 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000222A7D5D350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x00000222A7D65B70, 16 bytes long.
 Data: <`R&#214;&#167;"           > 60 52 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000222A7D65260, 320 bytes long.
 Data: <p[&#214;&#167;"   P&#211;&#213;&#167;"   > 70 5B D6 A7 22 02 00 00 50 D3 D5 A7 22 02 00 00 
{281} normal block at 0x00000222A7D656C0, 16 bytes long.
 Data: <&#224;f&#214;&#167;"           > E0 66 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000222A7D65990, 16 bytes long.
 Data: <&#184;f&#214;&#167;"           > B8 66 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000222A7D5DFB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000222A7D65C10, 16 bytes long.
 Data: < f&#214;&#167;"           > 90 66 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000222A7D5D830, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x00000222A7D65580, 16 bytes long.
 Data: <&#216;e&#214;&#167;"           > D8 65 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000222A7D65530, 16 bytes long.
 Data: <&#176;e&#214;&#167;"           > B0 65 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000222A7D654E0, 16 bytes long.
 Data: < e&#214;&#167;"           > 88 65 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000222A7D66200, 16 bytes long.
 Data: <`e&#214;&#167;"           > 60 65 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000222A7D66020, 16 bytes long.
 Data: <8e&#214;&#167;"           > 38 65 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000222A7D65A80, 16 bytes long.
 Data: < e&#214;&#167;"           > 10 65 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000222A7D65A30, 16 bytes long.
 Data: <&#176;I&#214;&#167;"           > B0 49 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000222A7D649B0, 40 bytes long.
 Data: <0Z&#214;&#167;"    &#132;&#186;&#169;"   > 30 5A D6 A7 22 02 00 00 20 84 BA A9 22 02 00 00 
{267} normal block at 0x00000222A7D65E40, 16 bytes long.
 Data: <&#240;d&#214;&#167;"           > F0 64 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000222A7D65E90, 16 bytes long.
 Data: <&#200;d&#214;&#167;"           > C8 64 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000222A7D5DB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x00000222A7D66430, 16 bytes long.
 Data: <&#160;d&#214;&#167;"           > A0 64 D6 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000222A7D664A0, 992 bytes long.
 Data: <0d&#214;&#167;"   0&#219;&#213;&#167;"   > 30 64 D6 A7 22 02 00 00 30 DB D5 A7 22 02 00 00 
{99} normal block at 0x00000222A7D5E190, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x00000222A7D5F030, 16 bytes long.
 Data: < &#230;&#212;&#167;"           > 90 E6 D4 A7 22 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000222A7D4E690, 40 bytes long.
 Data: <0&#240;&#213;&#167;"    &#225;&#213;&#167;"   > 30 F0 D5 A7 22 02 00 00 90 E1 D5 A7 22 02 00 00 
{76} normal block at 0x00000222A7D5EF90, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000222A7D5EC70, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000222A7D5F620, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000222A7D5F5D0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000222A7D5F800, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000222A7D5EFE0, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000222A7D5EB30, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000222A7D5F9E0, 16 bytes long.
 Data: <    &#247;           > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000222A7D5EF40, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000222A7D5EDB0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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