Task 38668614

Name test_203-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND4376_2
Workunit 31610997
Created 25 Oct 2026, 12:15:24 UTC
Sent 25 Oct 2026, 12:15:29 UTC
Report deadline 30 Oct 2026, 12:15:29 UTC
Received 25 Oct 2026, 13:24:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654906
Run time 34 min 31 sec
CPU time 34 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.17 MB
Peak swap size 12.82 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:50:32 (20552): wrapper (7.9.26016): starting
07:50:32 (20552): 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
07:50:33 (20552): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:50:33 (20552): 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\33\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\33\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
08:24:12 (20552): C:/Windows/system32/cmd.exe exited; CPU time 2071.078125
08:24:12 (20552): 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: 32487029 bytes.
Dumping objects ->
{3835543} normal block at 0x0000019E441639F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000019E44163590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835521} normal block at 0x0000019E44163910, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835510} normal block at 0x0000019E44163520, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x0000019E441634B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835468} normal block at 0x0000019E45E1B3A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000019E45E7D1A0, 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) : {3835454} normal block at 0x0000019E4415EF60, 8 bytes long.
 Data: <  &#174;E&#158;   > 00 00 AE 45 9E 01 00 00 
{3834676} normal block at 0x0000019E45E7CE30, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x0000019E4415F370, 8 bytes long.
 Data: <P&#245;&#238;E&#158;   > 50 F5 EE 45 9E 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x0000019E44155470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019E44156C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x0000019E44164870, 16 bytes long.
 Data: <&#184;> D&#158;           > B8 3E 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019E44164690, 16 bytes long.
 Data: < > D&#158;           > 90 3E 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019E441616A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x0000019E441640A0, 16 bytes long.
 Data: <h> D&#158;           > 68 3E 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019E44164410, 16 bytes long.
 Data: <@> D&#158;           > 40 3E 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019E44164640, 16 bytes long.
 Data: < > D&#158;           > 18 3E 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019E44164820, 16 bytes long.
 Data: <&#240;= D&#158;           > F0 3D 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019E44163AD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x0000019E44164460, 16 bytes long.
 Data: <H&#240; D&#158;           > 48 F0 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019E44161E80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x0000019E441645F0, 16 bytes long.
 Data: < &#240; D&#158;           > 20 F0 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019E441647D0, 16 bytes long.
 Data: <&#248;&#239; D&#158;           > F8 EF 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019E44164500, 16 bytes long.
 Data: <&#208;&#239; D&#158;           > D0 EF 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019E441645A0, 16 bytes long.
 Data: <&#168;&#239; D&#158;           > A8 EF 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019E44164050, 16 bytes long.
 Data: < &#239; D&#158;           > 80 EF 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019E44164E60, 16 bytes long.
 Data: <X&#239; D&#158;           > 58 EF 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019E44161400, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{268} normal block at 0x0000019E44164EB0, 16 bytes long.
 Data: <0&#239; D&#158;           > 30 EF 14 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019E4414EF30, 320 bytes long.
 Data: <&#176;N D&#158;      D&#158;   > B0 4E 16 44 9E 01 00 00 00 14 16 44 9E 01 00 00 
{266} normal block at 0x0000019E44164320, 16 bytes long.
 Data: <&#208;= D&#158;           > D0 3D 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019E44164550, 16 bytes long.
 Data: <&#168;= D&#158;           > A8 3D 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019E441610A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x0000019E44164CD0, 16 bytes long.
 Data: < = D&#158;           > 80 3D 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019E44161460, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x0000019E44164000, 16 bytes long.
 Data: <&#200;< D&#158;           > C8 3C 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019E441643C0, 16 bytes long.
 Data: <&#160;< D&#158;           > A0 3C 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019E4415EF10, 16 bytes long.
 Data: <x< D&#158;           > 78 3C 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019E4415EDD0, 16 bytes long.
 Data: <P< D&#158;           > 50 3C 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019E4415EEC0, 16 bytes long.
 Data: <(< D&#158;           > 28 3C 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019E4415ED80, 16 bytes long.
 Data: < < D&#158;           > 00 3C 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019E4415F960, 16 bytes long.
 Data: <`: D&#158;           > 60 3A 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000019E44163A60, 40 bytes long.
 Data: <`&#249; D&#158;   &#160;&#179;&#225;E&#158;   > 60 F9 15 44 9E 01 00 00 A0 B3 E1 45 9E 01 00 00 
{252} normal block at 0x0000019E4415F8C0, 16 bytes long.
 Data: <&#224;; D&#158;           > E0 3B 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000019E4415EC90, 16 bytes long.
 Data: <&#184;; D&#158;           > B8 3B 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000019E44161760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x0000019E4415F320, 16 bytes long.
 Data: < ; D&#158;           > 90 3B 16 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x0000019E44163B90, 992 bytes long.
 Data: < &#243; D&#158;   `  D&#158;   > 20 F3 15 44 9E 01 00 00 60 17 16 44 9E 01 00 00 
{84} normal block at 0x0000019E44161640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x0000019E4415EE20, 16 bytes long.
 Data: <p&#233; D&#158;           > 70 E9 15 44 9E 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000019E4415E970, 40 bytes long.
 Data: < &#238; D&#158;   @  D&#158;   > 20 EE 15 44 9E 01 00 00 40 16 16 44 9E 01 00 00 
{61} normal block at 0x0000019E4415F140, 16 bytes long.
 Data: < &#234;0 &#247;           > 80 EA 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019E4415F0F0, 16 bytes long.
 Data: <@&#233;0 &#247;           > 40 E9 30 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019E4415F500, 16 bytes long.
 Data: <&#248;W- &#247;           > F8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019E4415F460, 16 bytes long.
 Data: <&#216;W- &#247;           > D8 57 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019E4415ECE0, 16 bytes long.
 Data: <P - &#247;           > 50 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000019E4415F5A0, 16 bytes long.
 Data: <0 - &#247;           > 30 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000019E4415F690, 16 bytes long.
 Data: <&#224; - &#247;           > E0 02 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000019E4415F550, 16 bytes long.
 Data: <  - &#247;           > 10 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000019E4415F820, 16 bytes long.
 Data: <p - &#247;           > 70 04 2D 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000019E4415EFB0, 16 bytes long.
 Data: < &#192;+ &#247;           > 18 C0 2B 16 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra