Task 38680813

Name test_448-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND7507_0
Workunit 31622513
Created 27 Oct 2026, 1:37:33 UTC
Sent 27 Oct 2026, 1:37:44 UTC
Report deadline 1 Nov 2026, 1:37:44 UTC
Received 27 Oct 2026, 2:11:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619953
Run time 32 min 14 sec
CPU time 27 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.64 MB
Peak swap size 5.41 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:40:40 (29164): wrapper (7.9.26016): starting
10:40:40 (29164): 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
10:40:42 (29164): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:40:42 (29164): 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 'E:\BoincData\slots\12\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 'E:\BoincData\slots\12\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
11:10:37 (29164): C:/Windows/system32/cmd.exe exited; CPU time 1675.265625
11:10:37 (29164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 39210721 bytes.
Dumping objects ->
{3835399} normal block at 0x0000020362106DE0, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835388} normal block at 0x00000203641D5910, 32 bytes long.
 Data: <HOME=E:\BoincDat> 48 4F 4D 45 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835377} normal block at 0x00000203641D5D30, 32 bytes long.
 Data: <TMP=E:\BoincData> 54 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 61 
{3835366} normal block at 0x00000203641D67B0, 32 bytes long.
 Data: <TEMP=E:\BoincDat> 54 45 4D 50 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835355} normal block at 0x00000203641D68D0, 32 bytes long.
 Data: <TMPDIR=E:\BoincD> 54 4D 50 44 49 52 3D 45 3A 5C 42 6F 69 6E 63 44 
{3835324} normal block at 0x0000020362106C20, 48 bytes long.
 Data: <PATH=E:\BoincDat> 50 41 54 48 3D 45 3A 5C 42 6F 69 6E 63 44 61 74 
{3835313} normal block at 0x00000203641A0A80, 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) : {3835310} normal block at 0x00000203620FEBF0, 8 bytes long.
 Data: <   b    > 00 00 08 62 03 02 00 00 
{3834688} normal block at 0x00000203641A0500, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834077} normal block at 0x00000203620FF2D0, 8 bytes long.
 Data: <   b    > 90 E5 0E 62 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000203620FFF20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000203620F7150, 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 0x0000020362107ED0, 16 bytes long.
 Data: <&#216;  b            > D8 85 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000020362108100, 16 bytes long.
 Data: <&#176;  b            > B0 85 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000020362101CC0, 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 0x00000203621077A0, 16 bytes long.
 Data: <   b            > 88 85 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000203621072F0, 16 bytes long.
 Data: <`  b            > 60 85 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000203621081F0, 16 bytes long.
 Data: <8  b            > 38 85 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000203621076B0, 16 bytes long.
 Data: <   b            > 10 85 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020362106AD0, 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 0x00000203621075C0, 16 bytes long.
 Data: <H&#195; b            > 48 C3 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000203621028C0, 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 0x0000020362107660, 16 bytes long.
 Data: < &#195; b            > 20 C3 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020362107430, 16 bytes long.
 Data: < &#194; b            > F8 C2 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020362108060, 16 bytes long.
 Data: <&#208;&#194; b            > D0 C2 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000203621074D0, 16 bytes long.
 Data: <&#168;&#194; b            > A8 C2 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020362107BB0, 16 bytes long.
 Data: < &#194; b            > 80 C2 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020362107980, 16 bytes long.
 Data: <X&#194; b            > 58 C2 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020362102800, 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 0x0000020362107DE0, 16 bytes long.
 Data: <0&#194; b            > 30 C2 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000203620EC230, 320 bytes long.
 Data: < } b     ( b    > E0 7D 10 62 03 02 00 00 00 28 10 62 03 02 00 00 
{281} normal block at 0x0000020362107570, 16 bytes long.
 Data: <   b            > F0 84 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020362107B60, 16 bytes long.
 Data: <&#200;  b            > C8 84 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000203621024A0, 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 0x0000020362107A70, 16 bytes long.
 Data: <   b            > A0 84 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020362102440, 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 0x0000020362107B10, 16 bytes long.
 Data: <   b            > E8 83 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000203621079D0, 16 bytes long.
 Data: <&#192;  b            > C0 83 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000203621080B0, 16 bytes long.
 Data: <   b            > 98 83 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020362107C00, 16 bytes long.
 Data: <p  b            > 70 83 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020362108240, 16 bytes long.
 Data: <H  b            > 48 83 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020362107E30, 16 bytes long.
 Data: <   b            > 20 83 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020362107FC0, 16 bytes long.
 Data: < h b            > A0 68 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000203621068A0, 40 bytes long.
 Data: <&#192;  b     l b    > C0 7F 10 62 03 02 00 00 20 6C 10 62 03 02 00 00 
{267} normal block at 0x0000020362107520, 16 bytes long.
 Data: <   b            > 00 83 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020362107D90, 16 bytes long.
 Data: <&#216;  b            > D8 82 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000203621021A0, 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 0x0000020362108010, 16 bytes long.
 Data: <&#176;  b            > B0 82 10 62 03 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000203621082B0, 992 bytes long.
 Data: <   b     ! b    > 10 80 10 62 03 02 00 00 A0 21 10 62 03 02 00 00 
{99} normal block at 0x0000020362102500, 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 0x00000203620FF6E0, 16 bytes long.
 Data: <P  b            > 50 EA 0E 62 03 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000203620EEA50, 40 bytes long.
 Data: <   b     % b    > E0 F6 0F 62 03 02 00 00 00 25 10 62 03 02 00 00 
{74} normal block at 0x00000203620FF280, 16 bytes long.
 Data: <                > 80 EA F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000203620FEA10, 16 bytes long.
 Data: <@               > 40 E9 F7 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000203620FF230, 16 bytes long.
 Data: < W              > F8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000203620FF1E0, 16 bytes long.
 Data: <&#216;W              > D8 57 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000203620FF0F0, 16 bytes long.
 Data: <P               > 50 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000203620FEF60, 16 bytes long.
 Data: <0               > 30 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000203620FF050, 16 bytes long.
 Data: <                > E0 02 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000203620FEF10, 16 bytes long.
 Data: <                > 10 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000203620FF550, 16 bytes long.
 Data: <p               > 70 04 F4 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000203620FF0A0, 16 bytes long.
 Data: < &#192;              > 18 C0 F2 19 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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