Task 38682498

Name test_183-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND5057_0
Workunit 31624107
Created 27 Oct 2026, 7:57:41 UTC
Sent 27 Oct 2026, 7:57:46 UTC
Report deadline 1 Nov 2026, 7:57:46 UTC
Received 27 Oct 2026, 8:20:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630161
Run time 21 min 54 sec
CPU time 20 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.42 MB
Peak swap size 9.98 GB
Peak disk usage 4.08 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
03:58:52 (12252): wrapper (7.9.26016): starting
03:58:52 (12252): 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
03:58:54 (12252): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:58:54 (12252): 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 'D:\BOINC\slots\10\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 'D:\BOINC\slots\10\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
04:19:49 (12252): C:/Windows/system32/cmd.exe exited; CPU time 1226.375000
04:19:49 (12252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 18841188 bytes.
Dumping objects ->
{3835203} normal block at 0x0000023C86A07700, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835192} normal block at 0x0000023C894B66B0, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x0000023C894B6FB0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835170} normal block at 0x0000023C894B6F50, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835159} normal block at 0x0000023C894B73D0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835128} normal block at 0x0000023C86A07F50, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835117} normal block at 0x0000023C8947D1C0, 85 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) : {3835114} normal block at 0x0000023C869E4F90, 8 bytes long.
 Data: <  &#218;&#134;<   > 00 00 DA 86 3C 02 00 00 
{3834520} normal block at 0x0000023C8947DA80, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000023C869E4B30, 8 bytes long.
 Data: <&#176;&L&#137;<   > B0 26 4C 89 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000023C869E2FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023C869E0E10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000023C869E45E0, 16 bytes long.
 Data: < @&#158;&#134;<           > 88 40 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023C869E4590, 16 bytes long.
 Data: <`@&#158;&#134;<           > 60 40 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023C869DF8F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000023C869E4B80, 16 bytes long.
 Data: <8@&#158;&#134;<           > 38 40 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023C869E4860, 16 bytes long.
 Data: < @&#158;&#134;<           > 10 40 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023C869E5120, 16 bytes long.
 Data: <&#232;?&#158;&#134;<           > E8 3F 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023C869D9070, 16 bytes long.
 Data: <&#192;?&#158;&#134;<           > C0 3F 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023C869DDE40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000023C869D9020, 16 bytes long.
 Data: <(&#161;&#156;&#134;<           > 28 A1 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023C869DFD10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000023C869D8FD0, 16 bytes long.
 Data: < &#161;&#156;&#134;<           > 00 A1 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023C869D8F80, 16 bytes long.
 Data: <&#216;&#160;&#156;&#134;<           > D8 A0 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023C869D8F30, 16 bytes long.
 Data: <&#176;&#160;&#156;&#134;<           > B0 A0 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023C869E2650, 16 bytes long.
 Data: < &#160;&#156;&#134;<           > 88 A0 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023C869E2C90, 16 bytes long.
 Data: <`&#160;&#156;&#134;<           > 60 A0 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023C869E2C40, 16 bytes long.
 Data: <8&#160;&#156;&#134;<           > 38 A0 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023C869DF3B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000023C869E2B00, 16 bytes long.
 Data: < &#160;&#156;&#134;<           > 10 A0 9C 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023C869CA010, 320 bytes long.
 Data: < +&#158;&#134;<   &#176;&#243; &#134;<   > 00 2B 9E 86 3C 02 00 00 B0 F3 9D 86 3C 02 00 00 
{269} normal block at 0x0000023C869E2BA0, 16 bytes long.
 Data: <&#160;?&#158;&#134;<           > A0 3F 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023C869E2970, 16 bytes long.
 Data: <x?&#158;&#134;<           > 78 3F 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023C869DF230, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000023C869E2AB0, 16 bytes long.
 Data: <P?&#158;&#134;<           > 50 3F 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023C869DF530, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000023C869E27E0, 16 bytes long.
 Data: < >&#158;&#134;<           > 98 3E 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023C869E2830, 16 bytes long.
 Data: <p>&#158;&#134;<           > 70 3E 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023C869E2BF0, 16 bytes long.
 Data: <H>&#158;&#134;<           > 48 3E 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023C869E2A60, 16 bytes long.
 Data: < >&#158;&#134;<           > 20 3E 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023C869E25B0, 16 bytes long.
 Data: <&#248;=&#158;&#134;<           > F8 3D 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023C869D97A0, 16 bytes long.
 Data: <&#208;=&#158;&#134;<           > D0 3D 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023C869D8D00, 16 bytes long.
 Data: < &#224; &#134;<           > 00 E0 9D 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023C869DE000, 40 bytes long.
 Data: <   &#134;<   P &#160;&#134;<   > 00 8D 9D 86 3C 02 00 00 50 7F A0 86 3C 02 00 00 
{255} normal block at 0x0000023C869D8C60, 16 bytes long.
 Data: <&#176;=&#158;&#134;<           > B0 3D 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000023C869D9750, 16 bytes long.
 Data: < =&#158;&#134;<           > 88 3D 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000023C869DF2F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000023C869D96B0, 16 bytes long.
 Data: <`=&#158;&#134;<           > 60 3D 9E 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000023C869E3D60, 992 bytes long.
 Data: <&#176;&#150; &#134;<   &#240;&#242; &#134;<   > B0 96 9D 86 3C 02 00 00 F0 F2 9D 86 3C 02 00 00 
{87} normal block at 0x0000023C869DEED0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000023C869D8BC0, 16 bytes long.
 Data: <&#240;&#227; &#134;<           > F0 E3 9D 86 3C 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000023C869DE3F0, 40 bytes long.
 Data: <&#192;&#139; &#134;<   &#208;&#238; &#134;<   > C0 8B 9D 86 3C 02 00 00 D0 EE 9D 86 3C 02 00 00 
{64} normal block at 0x0000023C869D95C0, 16 bytes long.
 Data: < &#234;8m&#246;           > 80 EA 38 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023C869D8B70, 16 bytes long.
 Data: <@&#233;8m&#246;           > 40 E9 38 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023C869D8A80, 16 bytes long.
 Data: <&#248;W5m&#246;           > F8 57 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023C869D9570, 16 bytes long.
 Data: <&#216;W5m&#246;           > D8 57 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023C869D91B0, 16 bytes long.
 Data: <P 5m&#246;           > 50 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023C869D9160, 16 bytes long.
 Data: <0 5m&#246;           > 30 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023C869D90C0, 16 bytes long.
 Data: <&#224; 5m&#246;           > E0 02 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023C869D9520, 16 bytes long.
 Data: <  5m&#246;           > 10 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023C869D9110, 16 bytes long.
 Data: <p 5m&#246;           > 70 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023C869D9430, 16 bytes long.
 Data: < &#192;3m&#246;           > 18 C0 33 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra