Task 38698867

Name test_488-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND2406_0
Workunit 31639336
Created 3 Nov 2026, 5:19:00 UTC
Sent 3 Nov 2026, 5:19:03 UTC
Report deadline 8 Nov 2026, 5:19:03 UTC
Received 3 Nov 2026, 5:57:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630601
Run time 34 min 43 sec
CPU time 34 min 43 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.06 MB
Peak swap size 6.86 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:20:35 (83208): wrapper (7.9.26016): starting
00:20:35 (83208): 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
00:20:36 (83208): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:20:36 (83208): 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\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 'C:\ProgramData\BOINC\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
00:56:44 (83208): C:/Windows/system32/cmd.exe exited; CPU time 2083.015625
00:56:44 (83208): 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: 57832767 bytes.
Dumping objects ->
{3835284} normal block at 0x00000176CB17A860, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x00000176CB179EC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x00000176CB179FA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835251} normal block at 0x00000176CB179F30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835240} normal block at 0x00000176CB17A7F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835209} normal block at 0x00000176CCE3BBF0, 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) : {3835196} normal block at 0x00000176CB14E720, 8 bytes long.
 Data: <  ]&#203;v   > 00 00 5D CB 76 01 00 00 
{3833971} normal block at 0x00000176CB14EA40, 8 bytes long.
 Data: <&#192;a &#203;v   > C0 61 15 CB 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000176CB153A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000176CB146BC0, 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 0x00000176CB156F50, 16 bytes long.
 Data: <xy &#203;v           > 78 79 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000176CB156F00, 16 bytes long.
 Data: <Py &#203;v           > 50 79 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000176CB150E70, 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 0x00000176CB156EB0, 16 bytes long.
 Data: <(y &#203;v           > 28 79 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000176CB156DC0, 16 bytes long.
 Data: < y &#203;v           > 00 79 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000176CB157130, 16 bytes long.
 Data: <&#216;x &#203;v           > D8 78 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000176CB156FF0, 16 bytes long.
 Data: <&#176;x &#203;v           > B0 78 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000176CB151630, 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 0x00000176CB1572C0, 16 bytes long.
 Data: <&#232;&#251; &#203;v           > E8 FB 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000176CB150A50, 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 0x00000176CB156D70, 16 bytes long.
 Data: <&#192;&#251; &#203;v           > C0 FB 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000176CB1568C0, 16 bytes long.
 Data: < &#251; &#203;v           > 98 FB 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000176CB1574F0, 16 bytes long.
 Data: <p&#251; &#203;v           > 70 FB 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000176CB1570E0, 16 bytes long.
 Data: <H&#251; &#203;v           > 48 FB 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000176CB157220, 16 bytes long.
 Data: < &#251; &#203;v           > 20 FB 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000176CB157450, 16 bytes long.
 Data: <&#248;&#250; &#203;v           > F8 FA 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000176CB1510B0, 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 0x00000176CB156D20, 16 bytes long.
 Data: <&#208;&#250; &#203;v           > D0 FA 13 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000176CB13FAD0, 320 bytes long.
 Data: < m &#203;v   &#176;  &#203;v   > 20 6D 15 CB 76 01 00 00 B0 10 15 CB 76 01 00 00 
{281} normal block at 0x00000176CB1573B0, 16 bytes long.
 Data: < x &#203;v           > 90 78 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000176CB156A00, 16 bytes long.
 Data: <hx &#203;v           > 68 78 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000176CB150870, 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 0x00000176CB156B90, 16 bytes long.
 Data: <@x &#203;v           > 40 78 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000176CB150B70, 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 0x00000176CB156CD0, 16 bytes long.
 Data: < w &#203;v           > 88 77 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000176CB156C30, 16 bytes long.
 Data: <`w &#203;v           > 60 77 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000176CB156910, 16 bytes long.
 Data: <8w &#203;v           > 38 77 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000176CB156BE0, 16 bytes long.
 Data: < w &#203;v           > 10 77 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000176CB156B40, 16 bytes long.
 Data: <&#232;v &#203;v           > E8 76 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000176CB1575E0, 16 bytes long.
 Data: <&#192;v &#203;v           > C0 76 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000176CB156C80, 16 bytes long.
 Data: <   &#203;v           > 10 17 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000176CB151710, 40 bytes long.
 Data: < l &#203;v   &#240;&#187;&#227;&#204;v   > 80 6C 15 CB 76 01 00 00 F0 BB E3 CC 76 01 00 00 
{267} normal block at 0x00000176CB157090, 16 bytes long.
 Data: <&#160;v &#203;v           > A0 76 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000176CB156AA0, 16 bytes long.
 Data: <xv &#203;v           > 78 76 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000176CB1503F0, 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 0x00000176CB156870, 16 bytes long.
 Data: <Pv &#203;v           > 50 76 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000176CB157650, 992 bytes long.
 Data: <ph &#203;v   &#240;  &#203;v   > 70 68 15 CB 76 01 00 00 F0 03 15 CB 76 01 00 00 
{99} normal block at 0x00000176CB150630, 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 0x00000176CB14E400, 16 bytes long.
 Data: <&#208;  &#203;v           > D0 18 15 CB 76 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x00000176CB1518D0, 40 bytes long.
 Data: < &#228; &#203;v   0  &#203;v   > 00 E4 14 CB 76 01 00 00 30 06 15 CB 76 01 00 00 
{76} normal block at 0x00000176CB14E360, 16 bytes long.
 Data: < &#234;%e&#247;           > 80 EA 25 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000176CB14DFA0, 16 bytes long.
 Data: <@&#233;%e&#247;           > 40 E9 25 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000176CB14E7C0, 16 bytes long.
 Data: <&#248;W"e&#247;           > F8 57 22 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000176CB14E180, 16 bytes long.
 Data: <&#216;W"e&#247;           > D8 57 22 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000176CB14E9A0, 16 bytes long.
 Data: <P "e&#247;           > 50 04 22 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000176CB14EC20, 16 bytes long.
 Data: <0 "e&#247;           > 30 04 22 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000176CB14E6D0, 16 bytes long.
 Data: <&#224; "e&#247;           > E0 02 22 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000176CB14E540, 16 bytes long.
 Data: <  "e&#247;           > 10 04 22 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000176CB14E2C0, 16 bytes long.
 Data: <p "e&#247;           > 70 04 22 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000176CB14DF50, 16 bytes long.
 Data: < &#192; e&#247;           > 18 C0 20 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra