Task 38684487

Name test_932-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1145_1
Workunit 31625986
Created 27 Oct 2026, 16:37:07 UTC
Sent 27 Oct 2026, 16:37:11 UTC
Report deadline 1 Nov 2026, 16:37:11 UTC
Received 27 Oct 2026, 18:24:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 607118
Run time 49 min 49 sec
CPU time 43 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,441.05 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 635.35 MB
Peak swap size 9.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:22:28 (12264): wrapper (7.9.26016): starting
19:22:28 (12264): 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
19:22:31 (12264): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:22:31 (12264): 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\1\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\1\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
20:09:49 (12264): C:/Windows/system32/cmd.exe exited; CPU time 2590.078125
20:09:49 (12264): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 37394597 bytes.
Dumping objects ->
{3835240} normal block at 0x000001D237B4A4F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x000001D237B4A560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x000001D237B4A480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x000001D237B4B050, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001D235ECBF80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000001D237B94B20, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001D237BF0F60, 180 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) : {3835151} normal block at 0x000001D235EC7A10, 8 bytes long.
 Data: <  &#226;5&#210;   > 00 00 E2 35 D2 01 00 00 
{3834544} normal block at 0x000001D237BF1320, 180 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 0x000001D235EC7650, 8 bytes long.
 Data: <&#208;%&#191;7&#210;   > D0 25 BF 37 D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001D235ED0CC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D235EBCF80, 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 0x000001D235ED2610, 16 bytes long.
 Data: <&#200;A&#237;5&#210;           > C8 41 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D235ED2200, 16 bytes long.
 Data: <&#160;A&#237;5&#210;           > A0 41 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D235ECD170, 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 0x000001D235ED1C10, 16 bytes long.
 Data: <xA&#237;5&#210;           > 78 41 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D235ED2390, 16 bytes long.
 Data: <PA&#237;5&#210;           > 50 41 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D235ED2890, 16 bytes long.
 Data: <(A&#237;5&#210;           > 28 41 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D235ED25C0, 16 bytes long.
 Data: < A&#237;5&#210;           > 00 41 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D235ECC370, 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 0x000001D235ED1F30, 16 bytes long.
 Data: <&#200;Z&#235;5&#210;           > C8 5A EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D235ECDB90, 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 0x000001D235ED1B70, 16 bytes long.
 Data: <&#160;Z&#235;5&#210;           > A0 5A EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D235ED1B20, 16 bytes long.
 Data: <xZ&#235;5&#210;           > 78 5A EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D235ED1EE0, 16 bytes long.
 Data: <PZ&#235;5&#210;           > 50 5A EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D235ED1E40, 16 bytes long.
 Data: <(Z&#235;5&#210;           > 28 5A EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D235ED1AD0, 16 bytes long.
 Data: < Z&#235;5&#210;           > 00 5A EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D235ED2430, 16 bytes long.
 Data: <&#216;Y&#235;5&#210;           > D8 59 EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D235ECDDD0, 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 0x000001D235ED2980, 16 bytes long.
 Data: <&#176;Y&#235;5&#210;           > B0 59 EB 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D235EB59B0, 320 bytes long.
 Data: <&#128;)&#237;5&#210;   &#208;&#221;&#236;5&#210;   > 80 29 ED 35 D2 01 00 00 D0 DD EC 35 D2 01 00 00 
{266} normal block at 0x000001D235ED2570, 16 bytes long.
 Data: <&#224;@&#237;5&#210;           > E0 40 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D235ED27F0, 16 bytes long.
 Data: <&#184;@&#237;5&#210;           > B8 40 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D235ECDD70, 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 0x000001D235ED21B0, 16 bytes long.
 Data: <&#144;@&#237;5&#210;           > 90 40 ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D235ECDA10, 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 0x000001D235ED2700, 16 bytes long.
 Data: <&#216;?&#237;5&#210;           > D8 3F ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D235ED2160, 16 bytes long.
 Data: <&#176;?&#237;5&#210;           > B0 3F ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D235ED1DF0, 16 bytes long.
 Data: < ?&#237;5&#210;           > 88 3F ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001D235ED2340, 16 bytes long.
 Data: <`?&#237;5&#210;           > 60 3F ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D235ED2070, 16 bytes long.
 Data: <8?&#237;5&#210;           > 38 3F ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D235ED2110, 16 bytes long.
 Data: < ?&#237;5&#210;           > 10 3F ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D235ED20C0, 16 bytes long.
 Data: <&#176;&#193;&#236;5&#210;           > B0 C1 EC 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D235ECC1B0, 40 bytes long.
 Data: <&#192; &#237;5&#210;    K 7&#210;   > C0 20 ED 35 D2 01 00 00 20 4B B9 37 D2 01 00 00 
{252} normal block at 0x000001D235ED1E90, 16 bytes long.
 Data: <&#240;>&#237;5&#210;           > F0 3E ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D235ED22F0, 16 bytes long.
 Data: <&#200;>&#237;5&#210;           > C8 3E ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001D235ECD9B0, 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 0x000001D235ED29D0, 16 bytes long.
 Data: <&#160;>&#237;5&#210;           > A0 3E ED 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001D235ED3EA0, 992 bytes long.
 Data: <&#208;)&#237;5&#210;   &#176;&#217;&#236;5&#210;   > D0 29 ED 35 D2 01 00 00 B0 D9 EC 35 D2 01 00 00 
{84} normal block at 0x000001D235ECD290, 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 0x000001D235EC71A0, 16 bytes long.
 Data: <p&#188;&#236;5&#210;           > 70 BC EC 35 D2 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001D235ECBC70, 40 bytes long.
 Data: <&#160;q&#236;5&#210;   &#144;&#210;&#236;5&#210;   > A0 71 EC 35 D2 01 00 00 90 D2 EC 35 D2 01 00 00 
{61} normal block at 0x000001D235EC77E0, 16 bytes long.
 Data: <&#128;&#234;  &#246;           > 80 EA 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D235EC7880, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 16 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D235EC7B00, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D235EC76A0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D235EC7920, 16 bytes long.
 Data: <P   &#246;           > 50 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D235EC7600, 16 bytes long.
 Data: <0   &#246;           > 30 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D235EC7BA0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001D235EC78D0, 16 bytes long.
 Data: <    &#246;           > 10 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001D235EC7100, 16 bytes long.
 Data: <p   &#246;           > 70 04 13 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001D235EC7510, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 11 20 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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