Task 38683125

Name test_289-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND2745_0
Workunit 31624704
Created 27 Oct 2026, 10:32:24 UTC
Sent 27 Oct 2026, 10:32:31 UTC
Report deadline 1 Nov 2026, 10:32:31 UTC
Received 27 Oct 2026, 11:16:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 22 min 9 sec
CPU time 21 min 10 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 748.70 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
21:55:08 (17516): wrapper (7.9.26016): starting
21:55:08 (17516): 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
21:55:09 (17516): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:55:09 (17516): 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
22:16:22 (17516): C:/Windows/system32/cmd.exe exited; CPU time 1270.687500
22:16:22 (17516): 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: 23586269 bytes.
Dumping objects ->
{3835653} normal block at 0x00000184B3D7CDD0, 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 0x00000184B3D7D380, 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 0x00000184B2174710, 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 0x00000184B2174DA0, 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 0x00000184B21746A0, 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 0x00000184B3DC89A0, 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 0x00000184B3DDF160, 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 0x00000184B216F710, 8 bytes long.
 Data: <   &#178;&#132;   > 00 00 12 B2 84 01 00 00 
{3834735} normal block at 0x00000184B3DDE660, 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 0x00000184B216F3F0, 8 bytes long.
 Data: <&#160;@ &#178;&#132;   > A0 40 17 B2 84 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000184B2170CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000184B21661B0, 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 0x00000184B2175C60, 16 bytes long.
 Data: <&#200;g &#178;&#132;           > C8 67 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000184B2175EE0, 16 bytes long.
 Data: <&#160;g &#178;&#132;           > A0 67 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000184B216D470, 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 0x00000184B2175E40, 16 bytes long.
 Data: <xg &#178;&#132;           > 78 67 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000184B2175990, 16 bytes long.
 Data: <Pg &#178;&#132;           > 50 67 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000184B21757B0, 16 bytes long.
 Data: <(g &#178;&#132;           > 28 67 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000184B2176340, 16 bytes long.
 Data: < g &#178;&#132;           > 00 67 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000184B21749B0, 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 0x00000184B2175710, 16 bytes long.
 Data: <xS &#178;&#132;           > 78 53 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000184B216D5F0, 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 0x00000184B2175670, 16 bytes long.
 Data: <PS &#178;&#132;           > 50 53 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000184B2175620, 16 bytes long.
 Data: <(S &#178;&#132;           > 28 53 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000184B21760C0, 16 bytes long.
 Data: < S &#178;&#132;           > 00 53 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000184B21755D0, 16 bytes long.
 Data: <&#216;R &#178;&#132;           > D8 52 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000184B2175580, 16 bytes long.
 Data: <&#176;R &#178;&#132;           > B0 52 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000184B2175760, 16 bytes long.
 Data: < R &#178;&#132;           > 88 52 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000184B216DA70, 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 0x00000184B2175A30, 16 bytes long.
 Data: <`R &#178;&#132;           > 60 52 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000184B2175260, 320 bytes long.
 Data: <0Z &#178;&#132;   p&#218; &#178;&#132;   > 30 5A 17 B2 84 01 00 00 70 DA 16 B2 84 01 00 00 
{281} normal block at 0x00000184B21756C0, 16 bytes long.
 Data: <&#224;f &#178;&#132;           > E0 66 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000184B2175E90, 16 bytes long.
 Data: <&#184;f &#178;&#132;           > B8 66 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000184B216DA10, 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 0x00000184B2176070, 16 bytes long.
 Data: < f &#178;&#132;           > 90 66 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000184B216DBF0, 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 0x00000184B2176020, 16 bytes long.
 Data: <&#216;e &#178;&#132;           > D8 65 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000184B21761B0, 16 bytes long.
 Data: <&#176;e &#178;&#132;           > B0 65 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000184B2175530, 16 bytes long.
 Data: < e &#178;&#132;           > 88 65 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000184B21754E0, 16 bytes long.
 Data: <`e &#178;&#132;           > 60 65 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000184B21759E0, 16 bytes long.
 Data: <8e &#178;&#132;           > 38 65 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000184B2175A80, 16 bytes long.
 Data: < e &#178;&#132;           > 10 65 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000184B2176430, 16 bytes long.
 Data: < G &#178;&#132;           > 80 47 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000184B2174780, 40 bytes long.
 Data: <0d &#178;&#132;   &#160;&#137;&#220;&#179;&#132;   > 30 64 17 B2 84 01 00 00 A0 89 DC B3 84 01 00 00 
{267} normal block at 0x00000184B2175F30, 16 bytes long.
 Data: <&#240;d &#178;&#132;           > F0 64 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000184B2175C10, 16 bytes long.
 Data: <&#200;d &#178;&#132;           > C8 64 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000184B216DCB0, 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 0x00000184B21763E0, 16 bytes long.
 Data: <&#160;d &#178;&#132;           > A0 64 17 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000184B21764A0, 992 bytes long.
 Data: <&#224;c &#178;&#132;   &#176;&#220; &#178;&#132;   > E0 63 17 B2 84 01 00 00 B0 DC 16 B2 84 01 00 00 
{99} normal block at 0x00000184B216DEF0, 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 0x00000184B216ED60, 16 bytes long.
 Data: <&#240;&#231; &#178;&#132;           > F0 E7 15 B2 84 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000184B215E7F0, 40 bytes long.
 Data: <`&#237; &#178;&#132;   &#240;&#222; &#178;&#132;   > 60 ED 16 B2 84 01 00 00 F0 DE 16 B2 84 01 00 00 
{76} normal block at 0x00000184B216F210, 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 0x00000184B216F030, 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 0x00000184B216F1C0, 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 0x00000184B216ED10, 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 0x00000184B216F300, 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 0x00000184B216EC70, 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 0x00000184B216EC20, 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 0x00000184B216EEA0, 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 0x00000184B216F3A0, 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 0x00000184B216EB30, 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>
]]>


©2026 Universitat Pompeu Fabra