Task 38645368

Name test_73-GPUGRID_TEST_ATM_100_20261023-0-1-RND3819_1
Workunit 31590310
Created 23 Oct 2026, 15:34:24 UTC
Sent 23 Oct 2026, 15:34:29 UTC
Report deadline 28 Oct 2026, 15:34:29 UTC
Received 23 Oct 2026, 17:01:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652152
Run time 1 hours 26 min 3 sec
CPU time 1 hours 15 min 53 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 9,462.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.86 MB
Peak swap size 5.26 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:37:38 (19532): wrapper (7.9.26016): starting
11:37:38 (19532): 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
11:37:41 (19532): Library/usr/bin/tar.exe exited; CPU time 0.031250
11:37:41 (19532): 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\14\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\14\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
13:00:47 (19532): C:/Windows/system32/cmd.exe exited; CPU time 4553.640625
13:00:47 (19532): 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: 81879561 bytes.
Dumping objects ->
{3835310} normal block at 0x00000217E1340F40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x00000217E13415D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835288} normal block at 0x00000217E13414F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835277} normal block at 0x00000217E1340ED0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835266} normal block at 0x00000217E1341560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835235} normal block at 0x00000217E143A280, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x00000217E14533B0, 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) : {3835221} normal block at 0x00000217DF8ED4C0, 8 bytes long.
 Data: <  &#137;&#223;    > 00 00 89 DF 17 02 00 00 
{3834583} normal block at 0x00000217E1453E00, 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 0x00000217DF8ED290, 8 bytes long.
 Data: <  &#142;&#223;    > 20 07 8E DF 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000217DF8F72E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000217DF8D9B60, 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 0x00000217DF8F92C0, 16 bytes long.
 Data: <   &#223;            > 88 98 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000217DF8F8910, 16 bytes long.
 Data: <`  &#223;            > 60 98 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000217DF8F2C70, 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 0x00000217DF8F8DC0, 16 bytes long.
 Data: <8  &#223;            > 38 98 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000217DF8F8D20, 16 bytes long.
 Data: <   &#223;            > 10 98 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000217DF8F88C0, 16 bytes long.
 Data: <&#232;&#151; &#223;            > E8 97 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000217DF8F8870, 16 bytes long.
 Data: <&#192;&#151; &#223;            > C0 97 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000217DF8F4500, 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 0x00000217DF8F8820, 16 bytes long.
 Data: <H&#221; &#223;            > 48 DD 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000217DF8F22B0, 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 0x00000217DF8F8E60, 16 bytes long.
 Data: < &#221; &#223;            > 20 DD 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000217DF8F8CD0, 16 bytes long.
 Data: <&#248;&#220; &#223;            > F8 DC 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000217DF8F8C80, 16 bytes long.
 Data: <&#208;&#220; &#223;            > D0 DC 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000217DF8F91D0, 16 bytes long.
 Data: <&#168;&#220; &#223;            > A8 DC 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000217DF8F9450, 16 bytes long.
 Data: < &#220; &#223;            > 80 DC 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000217DF8F8730, 16 bytes long.
 Data: <X&#220; &#223;            > 58 DC 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000217DF8F2550, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{279} normal block at 0x00000217DF8F86E0, 16 bytes long.
 Data: <0&#220; &#223;            > 30 DC 8D DF 17 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000217DF8DDC30, 320 bytes long.
 Data: <&#224;&#134; &#223;    P% &#223;    > E0 86 8F DF 17 02 00 00 50 25 8F DF 17 02 00 00 
{277} normal block at 0x00000217DF8F8C30, 16 bytes long.
 Data: <&#160;&#151; &#223;            > A0 97 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000217DF8F8B40, 16 bytes long.
 Data: <x&#151; &#223;            > 78 97 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000217DF8F2490, 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 0x00000217DF8F85F0, 16 bytes long.
 Data: <P&#151; &#223;            > 50 97 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000217DF8F2FD0, 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 0x00000217DF8F9130, 16 bytes long.
 Data: < &#150; &#223;            > 98 96 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000217DF8F9360, 16 bytes long.
 Data: <p&#150; &#223;            > 70 96 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000217DF8F9220, 16 bytes long.
 Data: <H&#150; &#223;            > 48 96 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000217DF8F8AF0, 16 bytes long.
 Data: < &#150; &#223;            > 20 96 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000217DF8F8BE0, 16 bytes long.
 Data: <&#248;&#149; &#223;            > F8 95 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000217DF8F8780, 16 bytes long.
 Data: <&#208;&#149; &#223;            > D0 95 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000217DF8F8AA0, 16 bytes long.
 Data: <&#160;G &#223;            > A0 47 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000217DF8F47A0, 40 bytes long.
 Data: <&#160;&#138; &#223;     &#162;C&#225;    > A0 8A 8F DF 17 02 00 00 80 A2 43 E1 17 02 00 00 
{263} normal block at 0x00000217DF8F8690, 16 bytes long.
 Data: <&#176;&#149; &#223;            > B0 95 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000217DF8F85A0, 16 bytes long.
 Data: < &#149; &#223;            > 88 95 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000217DF8F2430, 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 0x00000217DF8F8D70, 16 bytes long.
 Data: <`&#149; &#223;            > 60 95 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000217DF8F9560, 992 bytes long.
 Data: <p  &#223;    0$ &#223;    > 70 8D 8F DF 17 02 00 00 30 24 8F DF 17 02 00 00 
{95} normal block at 0x00000217DF8F27F0, 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 0x00000217DF8ED330, 16 bytes long.
 Data: <0G &#223;            > 30 47 8F DF 17 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000217DF8F4730, 40 bytes long.
 Data: <0&#211;&#142;&#223;    &#240;' &#223;    > 30 D3 8E DF 17 02 00 00 F0 27 8F DF 17 02 00 00 
{72} normal block at 0x00000217DF8ECCF0, 16 bytes long.
 Data: < &#234;&#223;:&#247;           > 80 EA DF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000217DF8ED470, 16 bytes long.
 Data: <@&#233;&#223;:&#247;           > 40 E9 DF 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000217DF8ED1A0, 16 bytes long.
 Data: <&#248;W&#220;:&#247;           > F8 57 DC 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000217DF8EC7A0, 16 bytes long.
 Data: <&#216;W&#220;:&#247;           > D8 57 DC 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000217DF8ECFC0, 16 bytes long.
 Data: <P &#220;:&#247;           > 50 04 DC 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000217DF8EC930, 16 bytes long.
 Data: <0 &#220;:&#247;           > 30 04 DC 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000217DF8EC750, 16 bytes long.
 Data: <&#224; &#220;:&#247;           > E0 02 DC 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000217DF8EC700, 16 bytes long.
 Data: <  &#220;:&#247;           > 10 04 DC 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000217DF8EC980, 16 bytes long.
 Data: <p &#220;:&#247;           > 70 04 DC 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000217DF8ECF70, 16 bytes long.
 Data: < &#192;&#218;:&#247;           > 18 C0 DA 3A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra