Task 38665499

Name test_120-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND3932_0
Workunit 31608593
Created 25 Oct 2026, 1:07:56 UTC
Sent 25 Oct 2026, 6:32:20 UTC
Report deadline 30 Oct 2026, 6:32:20 UTC
Received 25 Oct 2026, 7:46:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 35 min 57 sec
CPU time 33 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.99 MB
Peak swap size 9.85 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:11:08 (2232): wrapper (7.9.26016): starting
03:11:08 (2232): 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
03:11:09 (2232): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:11:09 (2232): 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\3\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\3\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
03:46:11 (2232): C:/Windows/system32/cmd.exe exited; CPU time 2033.718750
03:46:11 (2232): 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: 32302585 bytes.
Dumping objects ->
{3835479} normal block at 0x0000019DBEB34620, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000019DBEB34D20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000019DBEB34B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x0000019DBEB348C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x0000019DBEB34A10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x0000019DC0996460, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x0000019DC09AE460, 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) : {3835390} normal block at 0x0000019DBEB2EDA0, 8 bytes long.
 Data: <   &#191;    > 00 00 06 BF 9D 01 00 00 
{3834663} normal block at 0x0000019DC09AE5C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x0000019DBEB2E7B0, 8 bytes long.
 Data: < &#175;&#181;&#190;    > 90 AF B5 BE 9D 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000019DBEB30780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019DBEB269F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000019DBEB36280, 16 bytes long.
 Data: < U&#179;&#190;            > 08 55 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019DBEB35E70, 16 bytes long.
 Data: <&#224;T&#179;&#190;            > E0 54 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019DBEB2F3F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000019DBEB35BA0, 16 bytes long.
 Data: <&#184;T&#179;&#190;            > B8 54 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019DBEB364B0, 16 bytes long.
 Data: < T&#179;&#190;            > 90 54 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019DBEB35AB0, 16 bytes long.
 Data: <hT&#179;&#190;            > 68 54 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019DBEB35C90, 16 bytes long.
 Data: <@T&#179;&#190;            > 40 54 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019DBEB349A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000019DBEB356A0, 16 bytes long.
 Data: <H&#241;&#177;&#190;            > 48 F1 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019DBEB2F4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000019DBEB35A60, 16 bytes long.
 Data: < &#241;&#177;&#190;            > 20 F1 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019DBEB35F10, 16 bytes long.
 Data: <&#248;&#240;&#177;&#190;            > F8 F0 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019DBEB35E20, 16 bytes long.
 Data: <&#208;&#240;&#177;&#190;            > D0 F0 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019DBEB357E0, 16 bytes long.
 Data: <&#168;&#240;&#177;&#190;            > A8 F0 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019DBEB362D0, 16 bytes long.
 Data: < &#240;&#177;&#190;            > 80 F0 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019DBEB35B50, 16 bytes long.
 Data: <X&#240;&#177;&#190;            > 58 F0 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019DBEB2FB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000019DBEB36190, 16 bytes long.
 Data: <0&#240;&#177;&#190;            > 30 F0 B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019DBEB1F030, 320 bytes long.
 Data: < a&#179;&#190;     &#251;&#178;&#190;    > 90 61 B3 BE 9D 01 00 00 10 FB B2 BE 9D 01 00 00 
{272} normal block at 0x0000019DBEB35EC0, 16 bytes long.
 Data: < T&#179;&#190;            > 20 54 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019DBEB365A0, 16 bytes long.
 Data: <&#248;S&#179;&#190;            > F8 53 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019DBEB2FD50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000019DBEB35BF0, 16 bytes long.
 Data: <&#208;S&#179;&#190;            > D0 53 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019DBEB2FB70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000019DBEB35CE0, 16 bytes long.
 Data: < S&#179;&#190;            > 18 53 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019DBEB35650, 16 bytes long.
 Data: <&#240;R&#179;&#190;            > F0 52 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019DBEB35DD0, 16 bytes long.
 Data: <&#200;R&#179;&#190;            > C8 52 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019DBEB360F0, 16 bytes long.
 Data: <&#160;R&#179;&#190;            > A0 52 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019DBEB356F0, 16 bytes long.
 Data: <xR&#179;&#190;            > 78 52 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019DBEB2E530, 16 bytes long.
 Data: <PR&#179;&#190;            > 50 52 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019DBEB2E4E0, 16 bytes long.
 Data: <&#224;G&#179;&#190;            > E0 47 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019DBEB347E0, 40 bytes long.
 Data: <&#224;&#228;&#178;&#190;    `d &#192;    > E0 E4 B2 BE 9D 01 00 00 60 64 99 C0 9D 01 00 00 
{258} normal block at 0x0000019DBEB2EEE0, 16 bytes long.
 Data: <0R&#179;&#190;            > 30 52 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000019DBEB2EE40, 16 bytes long.
 Data: < R&#179;&#190;            > 08 52 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019DBEB2F810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000019DBEB2ECB0, 16 bytes long.
 Data: <&#224;Q&#179;&#190;            > E0 51 B3 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000019DBEB351E0, 992 bytes long.
 Data: <&#176;&#236;&#178;&#190;     &#248;&#178;&#190;    > B0 EC B2 BE 9D 01 00 00 10 F8 B2 BE 9D 01 00 00 
{90} normal block at 0x0000019DBEB2F750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000019DBEB2E8A0, 16 bytes long.
 Data: <p&#205;&#177;&#190;            > 70 CD B1 BE 9D 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000019DBEB1CD70, 40 bytes long.
 Data: <&#160;&#232;&#178;&#190;    P&#247;&#178;&#190;    > A0 E8 B2 BE 9D 01 00 00 50 F7 B2 BE 9D 01 00 00 
{67} normal block at 0x0000019DBEB2E9E0, 16 bytes long.
 Data: < &#234;&#238;&#173;&#246;           > 80 EA EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019DBEB2E5D0, 16 bytes long.
 Data: <@&#233;&#238;&#173;&#246;           > 40 E9 EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019DBEB2E260, 16 bytes long.
 Data: <&#248;W&#235;&#173;&#246;           > F8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019DBEB2EC10, 16 bytes long.
 Data: <&#216;W&#235;&#173;&#246;           > D8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019DBEB2E3F0, 16 bytes long.
 Data: <P &#235;&#173;&#246;           > 50 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019DBEB2E3A0, 16 bytes long.
 Data: <0 &#235;&#173;&#246;           > 30 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019DBEB2E440, 16 bytes long.
 Data: <&#224; &#235;&#173;&#246;           > E0 02 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019DBEB2E300, 16 bytes long.
 Data: <  &#235;&#173;&#246;           > 10 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019DBEB2F160, 16 bytes long.
 Data: <p &#235;&#173;&#246;           > 70 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019DBEB2EBC0, 16 bytes long.
 Data: < &#192;&#233;&#173;&#246;           > 18 C0 E9 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra