Task 38664828
| Name | test_321-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4364_0 |
| Workunit | 31607953 |
| Created | 25 Oct 2026, 0:14:08 UTC |
| Sent | 25 Oct 2026, 0:14:10 UTC |
| Report deadline | 30 Oct 2026, 0:14:10 UTC |
| Received | 25 Oct 2026, 3:59:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648332 |
| Run time | 3 hours 39 min 58 sec |
| CPU time | 3 hours 38 min 45 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 23,707.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 740.82 MB |
| Peak swap size | 8.41 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:19:33 (28100): wrapper (7.9.26016): starting
20:19:33 (28100): 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
20:19:34 (28100): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:19:34 (28100): 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\0\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\0\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
23:58:49 (28100): C:/Windows/system32/cmd.exe exited; CPU time 13125.125000
23:58:49 (28100): 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: 248694807 bytes.
Dumping objects ->
{3835219} normal block at 0x000002A6D8454D20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x000002A6D8454B60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000002A6D8454CB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x000002A6D8454E70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000002A6D84547E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x000002A6DA177800, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x000002A6DA18E5C0, 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) : {3835130} normal block at 0x000002A6D844EFB0, 8 bytes long.
Data: < Aئ > 00 00 41 D8 A6 02 00 00
{3834528} normal block at 0x000002A6DA18E250, 102 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 0x000002A6D844E7E0, 8 bytes long.
Data: <@D Ú¦ > 40 44 20 DA A6 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002A6D8450440, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002A6D8446010, 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 0x000002A6D8455580, 16 bytes long.
Data: <ØfEئ > D8 66 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A6D8456340, 16 bytes long.
Data: <°fEئ > B0 66 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A6D844FCD0, 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 0x000002A6D8455C10, 16 bytes long.
Data: < fEئ > 88 66 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A6D8455B20, 16 bytes long.
Data: <`fEئ > 60 66 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A6D8455940, 16 bytes long.
Data: <8fEئ > 38 66 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A6D8455E40, 16 bytes long.
Data: < fEئ > 10 66 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002A6D84549A0, 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 0x000002A6D8455DA0, 16 bytes long.
Data: <h´Cئ > 68 B4 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002A6D844F790, 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 0x000002A6D8455D00, 16 bytes long.
Data: <@´Cئ > 40 B4 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002A6D84553F0, 16 bytes long.
Data: < ´Cئ > 18 B4 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A6D8455B70, 16 bytes long.
Data: <ð³Cئ > F0 B3 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002A6D8455530, 16 bytes long.
Data: <ȳCئ > C8 B3 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A6D84554E0, 16 bytes long.
Data: < ³Cئ > A0 B3 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A6D8455DF0, 16 bytes long.
Data: <x³Cئ > 78 B3 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A6D844FEB0, 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 0x000002A6D8455710, 16 bytes long.
Data: <P³Cئ > 50 B3 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A6D843B350, 320 bytes long.
Data: < WEئ °þDئ > 10 57 45 D8 A6 02 00 00 B0 FE 44 D8 A6 02 00 00
{269} normal block at 0x000002A6D8456200, 16 bytes long.
Data: <ðeEئ > F0 65 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A6D8455670, 16 bytes long.
Data: <ÈeEئ > C8 65 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A6D844FD90, 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 0x000002A6D8455BC0, 16 bytes long.
Data: < eEئ > A0 65 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A6D844F7F0, 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 0x000002A6D8456250, 16 bytes long.
Data: <èdEئ > E8 64 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002A6D84556C0, 16 bytes long.
Data: <ÀdEئ > C0 64 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A6D84558F0, 16 bytes long.
Data: < dEئ > 98 64 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002A6D84560C0, 16 bytes long.
Data: <pdEئ > 70 64 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002A6D8455CB0, 16 bytes long.
Data: <HdEئ > 48 64 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002A6D8455AD0, 16 bytes long.
Data: < dEئ > 20 64 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002A6D8455D50, 16 bytes long.
Data: <ÀHEئ > C0 48 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002A6D84548C0, 40 bytes long.
Data: <P]Eئ x ڦ > 50 5D 45 D8 A6 02 00 00 00 78 17 DA A6 02 00 00
{255} normal block at 0x000002A6D8455A80, 16 bytes long.
Data: < dEئ > 00 64 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002A6D8455A30, 16 bytes long.
Data: <ØcEئ > D8 63 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002A6D844FA90, 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 0x000002A6D8455620, 16 bytes long.
Data: <°cEئ > B0 63 45 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002A6D84563B0, 992 bytes long.
Data: < VEئ úDئ > 20 56 45 D8 A6 02 00 00 90 FA 44 D8 A6 02 00 00
{87} normal block at 0x000002A6D844FD30, 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 0x000002A6D844EBF0, 16 bytes long.
Data: < ëCئ > 10 EB 43 D8 A6 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002A6D843EB10, 40 bytes long.
Data: <ðëDئ 0ýDئ > F0 EB 44 D8 A6 02 00 00 30 FD 44 D8 A6 02 00 00
{64} normal block at 0x000002A6D844EE20, 16 bytes long.
Data: < êµ1÷ > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002A6D844F2D0, 16 bytes long.
Data: <@éµ1÷ > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002A6D844EBA0, 16 bytes long.
Data: <øW²1÷ > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002A6D844E5B0, 16 bytes long.
Data: <ØW²1÷ > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002A6D844E560, 16 bytes long.
Data: <P ²1÷ > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002A6D844F190, 16 bytes long.
Data: <0 ²1÷ > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002A6D844E790, 16 bytes long.
Data: <à ²1÷ > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002A6D844E740, 16 bytes long.
Data: < ²1÷ > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002A6D844EF10, 16 bytes long.
Data: <p ²1÷ > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002A6D844F280, 16 bytes long.
Data: < À°1÷ > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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