Task 38687144

Name test_803-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND8253_0
Workunit 31628549
Created 28 Oct 2026, 6:15:02 UTC
Sent 28 Oct 2026, 6:15:04 UTC
Report deadline 2 Nov 2026, 6:15:04 UTC
Received 28 Oct 2026, 6:29:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626084
Run time 13 min 27 sec
CPU time 11 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.27 MB
Peak swap size 13.16 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:15:56 (17260): wrapper (7.9.26016): starting
07:15:56 (17260): 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
07:15:57 (17260): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:15:57 (17260): 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\0\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\0\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
07:28:49 (17260): C:/Windows/system32/cmd.exe exited; CPU time 707.859375
07:28:49 (17260): 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: 10663307 bytes.
Dumping objects ->
{3835237} normal block at 0x0000022D09BDD3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x0000022D09BDD570, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000022D09BDDFF0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x0000022D09BDD5E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000022D07FA4AA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x0000022D09C24C00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x0000022D09C3F4F0, 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) : {3835148} normal block at 0x0000022D07F9DD60, 8 bytes long.
 Data: <  &#178;	-   > 00 00 B2 09 2D 02 00 00 
{3834544} normal block at 0x0000022D09C3F230, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000022D07F9DD10, 8 bytes long.
 Data: <&#208;&#228;  -   > D0 E4 07 08 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022D07FA1120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022D07F96360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000022D07FA6210, 16 bytes long.
 Data: < j&#250; -           > 08 6A FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022D07FA61C0, 16 bytes long.
 Data: <&#224;i&#250; -           > E0 69 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022D07F9F490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000022D07FA5CC0, 16 bytes long.
 Data: <&#184;i&#250; -           > B8 69 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022D07FA5900, 16 bytes long.
 Data: < i&#250; -           > 90 69 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022D07FA58B0, 16 bytes long.
 Data: <hi&#250; -           > 68 69 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022D07FA6170, 16 bytes long.
 Data: <@i&#250; -           > 40 69 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022D07FA49C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000022D07FA6030, 16 bytes long.
 Data: <&#184;U&#250; -           > B8 55 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022D07F9F130, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000022D07FA63A0, 16 bytes long.
 Data: < U&#250; -           > 90 55 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022D07FA6350, 16 bytes long.
 Data: <hU&#250; -           > 68 55 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022D07FA5FE0, 16 bytes long.
 Data: <@U&#250; -           > 40 55 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022D07FA5860, 16 bytes long.
 Data: < U&#250; -           > 18 55 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022D07FA6260, 16 bytes long.
 Data: <&#240;T&#250; -           > F0 54 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022D07FA5EF0, 16 bytes long.
 Data: <&#200;T&#250; -           > C8 54 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022D07F9EFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000022D07FA5810, 16 bytes long.
 Data: <&#160;T&#250; -           > A0 54 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022D07FA54A0, 320 bytes long.
 Data: < X&#250; -   &#176;&#239;&#249; -   > 10 58 FA 07 2D 02 00 00 B0 EF F9 07 2D 02 00 00 
{277} normal block at 0x0000022D07FA5770, 16 bytes long.
 Data: < i&#250; -           > 20 69 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022D07FA5A90, 16 bytes long.
 Data: <&#248;h&#250; -           > F8 68 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022D07F9F1F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000022D07FA5F40, 16 bytes long.
 Data: <&#208;h&#250; -           > D0 68 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022D07F9F3D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000022D07FA5EA0, 16 bytes long.
 Data: < h&#250; -           > 18 68 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022D07FA6530, 16 bytes long.
 Data: <&#240;g&#250; -           > F0 67 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022D07FA5E00, 16 bytes long.
 Data: <&#200;g&#250; -           > C8 67 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022D07FA5DB0, 16 bytes long.
 Data: <&#160;g&#250; -           > A0 67 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022D07FA5E50, 16 bytes long.
 Data: <xg&#250; -           > 78 67 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022D07FA59F0, 16 bytes long.
 Data: <Pg&#250; -           > 50 67 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022D07FA6120, 16 bytes long.
 Data: < K&#250; -           > 10 4B FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022D07FA4B10, 40 bytes long.
 Data: < a&#250; -    L&#194;	-   > 20 61 FA 07 2D 02 00 00 00 4C C2 09 2D 02 00 00 
{263} normal block at 0x0000022D07FA6490, 16 bytes long.
 Data: <0g&#250; -           > 30 67 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022D07FA5B30, 16 bytes long.
 Data: < g&#250; -           > 08 67 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022D07F9F850, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000022D07FA57C0, 16 bytes long.
 Data: <&#224;f&#250; -           > E0 66 FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022D07FA66E0, 992 bytes long.
 Data: <&#192;W&#250; -   P&#248;&#249; -   > C0 57 FA 07 2D 02 00 00 50 F8 F9 07 2D 02 00 00 
{95} normal block at 0x0000022D07F9F7F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000022D07F9DF40, 16 bytes long.
 Data: <&#176;M&#250; -           > B0 4D FA 07 2D 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022D07FA4DB0, 40 bytes long.
 Data: <@&#223;&#249; -   &#240;&#247;&#249; -   > 40 DF F9 07 2D 02 00 00 F0 F7 F9 07 2D 02 00 00 
{72} normal block at 0x0000022D07F9D3B0, 16 bytes long.
 Data: < &#234;&#201;{&#247;           > 80 EA C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022D07F9DC70, 16 bytes long.
 Data: <@&#233;&#201;{&#247;           > 40 E9 C9 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022D07F9E2B0, 16 bytes long.
 Data: <&#248;W&#198;{&#247;           > F8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022D07F9E1C0, 16 bytes long.
 Data: <&#216;W&#198;{&#247;           > D8 57 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022D07F9D860, 16 bytes long.
 Data: <P &#198;{&#247;           > 50 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022D07F9E030, 16 bytes long.
 Data: <0 &#198;{&#247;           > 30 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022D07F9E170, 16 bytes long.
 Data: <&#224; &#198;{&#247;           > E0 02 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022D07F9D720, 16 bytes long.
 Data: <  &#198;{&#247;           > 10 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022D07F9DC20, 16 bytes long.
 Data: <p &#198;{&#247;           > 70 04 C6 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022D07F9DE50, 16 bytes long.
 Data: < &#192;&#196;{&#247;           > 18 C0 C4 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra