Task 38682555
| Name | test_822-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND0093_0 |
| Workunit | 31624160 |
| Created | 27 Oct 2026, 8:11:42 UTC |
| Sent | 27 Oct 2026, 8:11:47 UTC |
| Report deadline | 1 Nov 2026, 8:11:47 UTC |
| Received | 27 Oct 2026, 8:52:18 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648332 |
| Run time | 23 min 58 sec |
| CPU time | 22 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| 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 | 725.60 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:28:24 (11616): wrapper (7.9.26016): starting
04:28:24 (11616): 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
04:28:25 (11616): Library/usr/bin/tar.exe exited; CPU time 0.031250
04:28:25 (11616): 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
04:51:39 (11616): C:/Windows/system32/cmd.exe exited; CPU time 1358.640625
04:51:39 (11616): 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: 29342073 bytes.
Dumping objects ->
{3835219} normal block at 0x00000275A2924C80, 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 0x00000275A2925380, 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 0x00000275A2924DD0, 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 0x00000275A2925310, 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 0x00000275A2924D60, 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 0x00000275A4675A80, 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 0x00000275A468EF70, 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 0x00000275A291EB00, 8 bytes long.
Data: < Ž¢u > 00 00 8E A2 75 02 00 00
{3834528} normal block at 0x00000275A468F440, 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 0x00000275A291F3C0, 8 bytes long.
Data: <`럢u > 60 EB 9F A2 75 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000275A2920DE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000275A2916290, 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 0x00000275A2925B80, 16 bytes long.
Data: <Xj’¢u > 58 6A 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000275A2925E50, 16 bytes long.
Data: <0j’¢u > 30 6A 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000275A2920190, 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 0x00000275A2926300, 16 bytes long.
Data: < j’¢u > 08 6A 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000275A29262B0, 16 bytes long.
Data: <ài’¢u > E0 69 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000275A2926260, 16 bytes long.
Data: <¸i’¢u > B8 69 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000275A29261C0, 16 bytes long.
Data: < i’¢u > 90 69 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000275A2925070, 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 0x00000275A29266C0, 16 bytes long.
Data: <øá‘¢u > F8 E1 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000275A291F9B0, 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 0x00000275A29264E0, 16 bytes long.
Data: <Ðá‘¢u > D0 E1 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000275A2925EF0, 16 bytes long.
Data: <¨á‘¢u > A8 E1 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000275A29260D0, 16 bytes long.
Data: < á‘¢u > 80 E1 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000275A2925810, 16 bytes long.
Data: <Xá‘¢u > 58 E1 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000275A2925E00, 16 bytes long.
Data: <0á‘¢u > 30 E1 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000275A2926030, 16 bytes long.
Data: < á‘¢u > 08 E1 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000275A2920070, 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 0x00000275A2925B30, 16 bytes long.
Data: <àà‘¢u > E0 E0 91 A2 75 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000275A291E0E0, 320 bytes long.
Data: <0[’¢u p ’¢u > 30 5B 92 A2 75 02 00 00 70 00 92 A2 75 02 00 00
{269} normal block at 0x00000275A29265D0, 16 bytes long.
Data: <pi’¢u > 70 69 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000275A2926530, 16 bytes long.
Data: <Hi’¢u > 48 69 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000275A2920010, 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 0x00000275A2925FE0, 16 bytes long.
Data: < i’¢u > 20 69 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000275A291FFB0, 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 0x00000275A2925C70, 16 bytes long.
Data: <hh’¢u > 68 68 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000275A2926350, 16 bytes long.
Data: <@h’¢u > 40 68 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000275A2926490, 16 bytes long.
Data: < h’¢u > 18 68 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000275A2926210, 16 bytes long.
Data: <ðg’¢u > F0 67 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000275A2926080, 16 bytes long.
Data: <Èg’¢u > C8 67 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000275A2926620, 16 bytes long.
Data: < g’¢u > A0 67 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000275A2925AE0, 16 bytes long.
Data: <ðL’¢u > F0 4C 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000275A2924CF0, 40 bytes long.
Data: <àZ’¢u Zg¤u > E0 5A 92 A2 75 02 00 00 80 5A 67 A4 75 02 00 00
{255} normal block at 0x00000275A2926120, 16 bytes long.
Data: < g’¢u > 80 67 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000275A2925F40, 16 bytes long.
Data: <Xg’¢u > 58 67 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000275A291F5F0, 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 0x00000275A2925A90, 16 bytes long.
Data: <0g’¢u > 30 67 92 A2 75 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x00000275A2926730, 992 bytes long.
Data: < Z’¢u ðõ‘¢u > 90 5A 92 A2 75 02 00 00 F0 F5 91 A2 75 02 00 00
{87} normal block at 0x00000275A291F4D0, 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 0x00000275A291E7E0, 16 bytes long.
Data: <PÀ ¢u > 50 C0 90 A2 75 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x00000275A290C050, 40 bytes long.
Data: <àç‘¢u Ðô‘¢u > E0 E7 91 A2 75 02 00 00 D0 F4 91 A2 75 02 00 00
{64} normal block at 0x00000275A291EBA0, 16 bytes long.
Data: < êJ ö > 80 EA 4A 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000275A291EF60, 16 bytes long.
Data: <@éJ ö > 40 E9 4A 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000275A291F370, 16 bytes long.
Data: <øWG ö > F8 57 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000275A291EB50, 16 bytes long.
Data: <ØWG ö > D8 57 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000275A291E4C0, 16 bytes long.
Data: <P G ö > 50 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000275A291E6A0, 16 bytes long.
Data: <0 G ö > 30 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000275A291EAB0, 16 bytes long.
Data: <à G ö > E0 02 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000275A291F140, 16 bytes long.
Data: < G ö > 10 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000275A291F320, 16 bytes long.
Data: <p G ö > 70 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000275A291E5B0, 16 bytes long.
Data: < ÀE ö > 18 C0 45 1E F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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