Task 38686437

Name test_447-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND3370_0
Workunit 31627869
Created 28 Oct 2026, 2:29:50 UTC
Sent 28 Oct 2026, 2:29:54 UTC
Report deadline 2 Nov 2026, 2:29:54 UTC
Received 28 Oct 2026, 3:28:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650754
Run time 56 min 48 sec
CPU time 56 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.28 MB
Peak swap size 9.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:31:21 (3404): wrapper (7.9.26016): starting
02:31:21 (3404): 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
02:31:22 (3404): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:31:22 (3404): 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:\BOINCdata\slots\1\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:\BOINCdata\slots\1\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
03:27:10 (3404): C:/Windows/system32/cmd.exe exited; CPU time 3408.234375
03:27:10 (3404): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 37540837 bytes.
Dumping objects ->
{3835233} normal block at 0x00000171FA515920, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835222} normal block at 0x00000171FC222230, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835211} normal block at 0x00000171FC223730, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835200} normal block at 0x00000171FC223130, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835189} normal block at 0x00000171FC2221D0, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835158} normal block at 0x00000171FA516020, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835147} normal block at 0x00000171FA4E8E00, 200 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) : {3835144} normal block at 0x00000171FA4E71B0, 8 bytes long.
 Data: <  &#242;&#251;q   > 00 00 F2 FB 71 01 00 00 
{3834547} normal block at 0x00000171FA4E89C0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000171FA4E6A30, 8 bytes long.
 Data: < U*&#252;q   > 00 55 2A FC 71 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000171FA4F13E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000171FA4D5BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000171FA4F2970, 16 bytes long.
 Data: <X7O&#250;q           > 58 37 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000171FA4F3230, 16 bytes long.
 Data: <07O&#250;q           > 30 37 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000171FA4EE0F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000171FA4F2920, 16 bytes long.
 Data: < 7O&#250;q           > 08 37 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000171FA4F2470, 16 bytes long.
 Data: <&#224;6O&#250;q           > E0 36 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000171FA4F27E0, 16 bytes long.
 Data: <&#184;6O&#250;q           > B8 36 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000171FA4F3320, 16 bytes long.
 Data: < 6O&#250;q           > 90 36 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000171FA4EE5A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000171FA4F3280, 16 bytes long.
 Data: <X[M&#250;q           > 58 5B 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000171FA4EE210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000171FA4F2B00, 16 bytes long.
 Data: <0[M&#250;q           > 30 5B 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000171FA4F2790, 16 bytes long.
 Data: < [M&#250;q           > 08 5B 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000171FA4F2C40, 16 bytes long.
 Data: <&#224;ZM&#250;q           > E0 5A 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000171FA4F2740, 16 bytes long.
 Data: <&#184;ZM&#250;q           > B8 5A 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000171FA4F26A0, 16 bytes long.
 Data: < ZM&#250;q           > 90 5A 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000171FA4F31E0, 16 bytes long.
 Data: <hZM&#250;q           > 68 5A 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000171FA4ED9D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000171FA4F26F0, 16 bytes long.
 Data: <@ZM&#250;q           > 40 5A 4D FA 71 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000171FA4D5A40, 320 bytes long.
 Data: <&#240;&O&#250;q   &#208;&#217;N&#250;q   > F0 26 4F FA 71 01 00 00 D0 D9 4E FA 71 01 00 00 
{269} normal block at 0x00000171FA4F2560, 16 bytes long.
 Data: <p6O&#250;q           > 70 36 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000171FA4F2650, 16 bytes long.
 Data: <H6O&#250;q           > 48 36 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000171FA4EDAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000171FA4F2510, 16 bytes long.
 Data: < 6O&#250;q           > 20 36 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000171FA4EDC10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000171FA4F3050, 16 bytes long.
 Data: <h5O&#250;q           > 68 35 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000171FA4F25B0, 16 bytes long.
 Data: <@5O&#250;q           > 40 35 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000171FA4F2880, 16 bytes long.
 Data: < 5O&#250;q           > 18 35 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000171FA4F28D0, 16 bytes long.
 Data: <&#240;4O&#250;q           > F0 34 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000171FA4F2AB0, 16 bytes long.
 Data: <&#200;4O&#250;q           > C8 34 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000171FA4F2830, 16 bytes long.
 Data: <&#160;4O&#250;q           > A0 34 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000171FA4F2A60, 16 bytes long.
 Data: <p&#234;N&#250;q           > 70 EA 4E FA 71 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000171FA4EEA70, 40 bytes long.
 Data: <`*O&#250;q    `Q&#250;q   > 60 2A 4F FA 71 01 00 00 20 60 51 FA 71 01 00 00 
{255} normal block at 0x00000171FA4F3000, 16 bytes long.
 Data: < 4O&#250;q           > 80 34 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000171FA4F3370, 16 bytes long.
 Data: <X4O&#250;q           > 58 34 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000171FA4ED430, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000171FA4F30A0, 16 bytes long.
 Data: <04O&#250;q           > 30 34 4F FA 71 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000171FA4F3430, 992 bytes long.
 Data: <&#160;0O&#250;q   0&#212;N&#250;q   > A0 30 4F FA 71 01 00 00 30 D4 4E FA 71 01 00 00 
{87} normal block at 0x00000171FA4EDF10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000171FA4E68F0, 16 bytes long.
 Data: <&#240;&#230;N&#250;q           > F0 E6 4E FA 71 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000171FA4EE6F0, 40 bytes long.
 Data: <&#240;hN&#250;q    &#223;N&#250;q   > F0 68 4E FA 71 01 00 00 10 DF 4E FA 71 01 00 00 
{64} normal block at 0x00000171FA4E7160, 16 bytes long.
 Data: < &#234;#&#135;&#247;           > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000171FA4E7070, 16 bytes long.
 Data: <@&#233;#&#135;&#247;           > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000171FA4E66C0, 16 bytes long.
 Data: <&#248;W &#135;&#247;           > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000171FA4E6AD0, 16 bytes long.
 Data: <&#216;W &#135;&#247;           > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000171FA4E6850, 16 bytes long.
 Data: <P  &#135;&#247;           > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000171FA4E6A80, 16 bytes long.
 Data: <0  &#135;&#247;           > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000171FA4E6C60, 16 bytes long.
 Data: <&#224;  &#135;&#247;           > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000171FA4E6F30, 16 bytes long.
 Data: <   &#135;&#247;           > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000171FA4E64E0, 16 bytes long.
 Data: <p  &#135;&#247;           > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000171FA4E65D0, 16 bytes long.
 Data: < &#192; &#135;&#247;           > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra