Task 38688926
| Name | test_811-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5245_0 |
| Workunit | 31630219 |
| Created | 28 Oct 2026, 17:02:27 UTC |
| Sent | 28 Oct 2026, 17:02:30 UTC |
| Report deadline | 2 Nov 2026, 17:02:30 UTC |
| Received | 28 Oct 2026, 18:48:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 644191 |
| Run time | 39 min 8 sec |
| CPU time | 35 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,717.53 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 667.34 MB |
| Peak swap size | 3.71 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:10:16 (25260): wrapper (7.9.26016): starting
19:10:16 (25260): 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
19:10:17 (25260): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:10:17 (25260): 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\5\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\5\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
19:48:20 (25260): C:/Windows/system32/cmd.exe exited; CPU time 2123.500000
19:48:20 (25260): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 34016055 bytes.
Dumping objects ->
{3835287} normal block at 0x000002BCDACE4BF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835276} normal block at 0x000002BCDACE4FE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835265} normal block at 0x000002BCDACE4B80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835254} normal block at 0x000002BCDACE4F70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835243} normal block at 0x000002BCDACE4F00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835212} normal block at 0x000002BCDC9C83D0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835201} normal block at 0x000002BCDC8D1060, 235 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) : {3835198} normal block at 0x000002BCDACDF020, 8 bytes long.
Data: < Û¼ > 00 00 1A DB BC 02 00 00
{3834575} normal block at 0x000002BCDC8D11F0, 235 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 0x000002BCDACDF430, 8 bytes long.
Data: <p  ܼ > 70 A0 9D DC BC 02 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002BCDACDE170, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002BCDACCF550, 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 0x000002BCDACE6640, 16 bytes long.
Data: <xjÎÚ¼ > 78 6A CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002BCDACE65F0, 16 bytes long.
Data: <PjÎÚ¼ > 50 6A CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002BCDACE02E0, 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 0x000002BCDACE6140, 16 bytes long.
Data: <(jÎÚ¼ > 28 6A CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002BCDACE6550, 16 bytes long.
Data: < jÎÚ¼ > 00 6A CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002BCDACE5E20, 16 bytes long.
Data: <ØiÎÚ¼ > D8 69 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002BCDACE5B50, 16 bytes long.
Data: <°iÎÚ¼ > B0 69 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002BCDACE4E90, 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 0x000002BCDACE6460, 16 bytes long.
Data: <X ÍÚ¼ > 58 90 CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002BCDACE0B20, 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 0x000002BCDACE5A10, 16 bytes long.
Data: <0 ÍÚ¼ > 30 90 CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002BCDACE5C90, 16 bytes long.
Data: < ÍÚ¼ > 08 90 CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002BCDACE5920, 16 bytes long.
Data: <à ÍÚ¼ > E0 8F CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002BCDACE60F0, 16 bytes long.
Data: <¸ ÍÚ¼ > B8 8F CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002BCDACE5AB0, 16 bytes long.
Data: < ÍÚ¼ > 90 8F CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002BCDACE6280, 16 bytes long.
Data: <h ÍÚ¼ > 68 8F CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002BCDACE0AC0, 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 0x000002BCDACE5B00, 16 bytes long.
Data: <@ ÍÚ¼ > 40 8F CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002BCDACD8F40, 320 bytes long.
Data: < [ÎÚ¼ À ÎÚ¼ > 00 5B CE DA BC 02 00 00 C0 0A CE DA BC 02 00 00
{269} normal block at 0x000002BCDACE5830, 16 bytes long.
Data: < iÎÚ¼ > 90 69 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002BCDACE5C40, 16 bytes long.
Data: <hiÎÚ¼ > 68 69 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002BCDACE07C0, 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 0x000002BCDACE6050, 16 bytes long.
Data: <@iÎÚ¼ > 40 69 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002BCDACE0A60, 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 0x000002BCDACE5880, 16 bytes long.
Data: < hÎÚ¼ > 88 68 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002BCDACE57E0, 16 bytes long.
Data: <`hÎÚ¼ > 60 68 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002BCDACE6500, 16 bytes long.
Data: <8hÎÚ¼ > 38 68 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002BCDACE59C0, 16 bytes long.
Data: < hÎÚ¼ > 10 68 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002BCDACE5BF0, 16 bytes long.
Data: <ègÎÚ¼ > E8 67 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002BCDACE5A60, 16 bytes long.
Data: <ÀgÎÚ¼ > C0 67 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002BCDACE6230, 16 bytes long.
Data: <@MÎÚ¼ > 40 4D CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002BCDACE4D40, 40 bytes long.
Data: <0bÎÚ¼ ЃœÜ¼ > 30 62 CE DA BC 02 00 00 D0 83 9C DC BC 02 00 00
{255} normal block at 0x000002BCDACE6410, 16 bytes long.
Data: < gÎÚ¼ > A0 67 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002BCDACE5790, 16 bytes long.
Data: <xgÎÚ¼ > 78 67 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002BCDACE0A00, 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 0x000002BCDACE60A0, 16 bytes long.
Data: <PgÎÚ¼ > 50 67 CE DA BC 02 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000002BCDACE6750, 992 bytes long.
Data: < `ÎÚ¼ ÎÚ¼ > A0 60 CE DA BC 02 00 00 00 0A CE DA BC 02 00 00
{87} normal block at 0x000002BCDACE09A0, 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 0x000002BCDACDF3E0, 16 bytes long.
Data: <à ÍÚ¼ > E0 03 CD DA BC 02 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000002BCDACD03E0, 40 bytes long.
Data: <àóÍÚ¼   ÎÚ¼ > E0 F3 CD DA BC 02 00 00 A0 09 CE DA BC 02 00 00
{64} normal block at 0x000002BCDACDF2A0, 16 bytes long.
Data: < êÊ×ö > 80 EA CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002BCDACDF200, 16 bytes long.
Data: <@éÊ×ö > 40 E9 CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002BCDACDF890, 16 bytes long.
Data: <øWÇ×ö > F8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002BCDACDF390, 16 bytes long.
Data: <ØWÇ×ö > D8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002BCDACDEE40, 16 bytes long.
Data: <P Ç×ö > 50 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002BCDACDF2F0, 16 bytes long.
Data: <0 Ç×ö > 30 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002BCDACDF7A0, 16 bytes long.
Data: <à Ç×ö > E0 02 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002BCDACDEDF0, 16 bytes long.
Data: < Ç×ö > 10 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002BCDACDF1B0, 16 bytes long.
Data: <p Ç×ö > 70 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002BCDACDFB10, 16 bytes long.
Data: < ÀÅ×ö > 18 C0 C5 D7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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