Task 38697093
| Name | test_611-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND8691_0 |
| Workunit | 31637691 |
| Created | 1 Nov 2026, 8:59:14 UTC |
| Sent | 1 Nov 2026, 8:59:18 UTC |
| Report deadline | 6 Nov 2026, 8:59:18 UTC |
| Received | 1 Nov 2026, 10:08:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643562 |
| Run time | 1 hours 4 min 23 sec |
| CPU time | 1 hours 2 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,947.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 693.55 MB |
| Peak swap size | 6.84 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
10:04:48 (27140): wrapper (7.9.26016): starting
10:04:48 (27140): 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
10:04:51 (27140): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:04:51 (27140): 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
11:07:58 (27140): C:/Windows/system32/cmd.exe exited; CPU time 3737.625000
11:07:58 (27140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 77715683 bytes.
Dumping objects ->
{3835264} normal block at 0x00000281AFC8CDD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835253} normal block at 0x00000281AFC8CB30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x00000281AFC8D2A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835231} normal block at 0x00000281AFC8D1C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835220} normal block at 0x00000281ADF24380, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835189} normal block at 0x00000281AFCD6000, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835178} normal block at 0x00000281ADF7D860, 140 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) : {3835175} normal block at 0x00000281ADF1D7C0, 8 bytes long.
Data: < A® > 00 00 41 AE 81 02 00 00
{3834568} normal block at 0x00000281ADF7DEE0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x00000281ADF1D770, 8 bytes long.
Data: <@Úð­ > 40 DA F0 AD 81 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x00000281ADF20600, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000281ADF15860, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x00000281ADF25CF0, 16 bytes long.
Data: <xaò­ > 78 61 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000281ADF25B10, 16 bytes long.
Data: <Paò­ > 50 61 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000281ADF1EBD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x00000281ADF25570, 16 bytes long.
Data: <(aò­ > 28 61 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000281ADF25200, 16 bytes long.
Data: < aò­ > 00 61 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000281ADF24F80, 16 bytes long.
Data: <Ø`ò­ > D8 60 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000281ADF24E90, 16 bytes long.
Data: <°`ò­ > B0 60 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000281ADF24850, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x00000281ADF25AC0, 16 bytes long.
Data: <¨õð­ > A8 F5 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000281ADF1E810, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x00000281ADF25250, 16 bytes long.
Data: < õð­ > 80 F5 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000281ADF25160, 16 bytes long.
Data: <Xõð­ > 58 F5 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000281ADF25BB0, 16 bytes long.
Data: <0õð­ > 30 F5 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000281ADF25750, 16 bytes long.
Data: < õð­ > 08 F5 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000281ADF25610, 16 bytes long.
Data: <àôð­ > E0 F4 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000281ADF256B0, 16 bytes long.
Data: <¸ôð­ > B8 F4 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000281ADF1F230, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x00000281ADF25A70, 16 bytes long.
Data: < ôð­ > 90 F4 F0 AD 81 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000281ADF0F490, 320 bytes long.
Data: <pZò­ 0òñ­ > 70 5A F2 AD 81 02 00 00 30 F2 F1 AD 81 02 00 00
{281} normal block at 0x00000281ADF25B60, 16 bytes long.
Data: < `ò­ > 90 60 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000281ADF25480, 16 bytes long.
Data: <h`ò­ > 68 60 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000281ADF1EA50, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x00000281ADF25A20, 16 bytes long.
Data: <@`ò­ > 40 60 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000281ADF1E990, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x00000281ADF24F30, 16 bytes long.
Data: < _ò­ > 88 5F F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000281ADF25110, 16 bytes long.
Data: <`_ò­ > 60 5F F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000281ADF253E0, 16 bytes long.
Data: <8_ò­ > 38 5F F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000281ADF25020, 16 bytes long.
Data: < _ò­ > 10 5F F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000281ADF259D0, 16 bytes long.
Data: <è^ò­ > E8 5E F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000281ADF25660, 16 bytes long.
Data: <À^ò­ > C0 5E F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000281ADF251B0, 16 bytes long.
Data: <`Dò­ > 60 44 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000281ADF24460, 40 bytes long.
Data: <°Qò­ `ͯ > B0 51 F2 AD 81 02 00 00 00 60 CD AF 81 02 00 00
{267} normal block at 0x00000281ADF25980, 16 bytes long.
Data: < ^ò­ > A0 5E F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000281ADF257A0, 16 bytes long.
Data: <x^ò­ > 78 5E F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000281ADF1EDB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x00000281ADF25070, 16 bytes long.
Data: <P^ò­ > 50 5E F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000281ADF25E50, 992 bytes long.
Data: <pPò­ °íñ­ > 70 50 F2 AD 81 02 00 00 B0 ED F1 AD 81 02 00 00
{99} normal block at 0x00000281ADF1E7B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x00000281ADF1D360, 16 bytes long.
Data: <@Eò­ > 40 45 F2 AD 81 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x00000281ADF24540, 40 bytes long.
Data: <`Óñ­ °çñ­ > 60 D3 F1 AD 81 02 00 00 B0 E7 F1 AD 81 02 00 00
{76} normal block at 0x00000281ADF1D270, 16 bytes long.
Data: < ê `ö > 80 EA A2 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000281ADF1CD70, 16 bytes long.
Data: <@é `ö > 40 E9 A2 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000281ADF1CE60, 16 bytes long.
Data: <øWŸ`ö > F8 57 9F 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000281ADF1D6D0, 16 bytes long.
Data: <ØWŸ`ö > D8 57 9F 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000281ADF1CC80, 16 bytes long.
Data: <P Ÿ`ö > 50 04 9F 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000281ADF1CD20, 16 bytes long.
Data: <0 Ÿ`ö > 30 04 9F 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000281ADF1CE10, 16 bytes long.
Data: <à Ÿ`ö > E0 02 9F 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000281ADF1CBE0, 16 bytes long.
Data: < Ÿ`ö > 10 04 9F 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000281ADF1CC30, 16 bytes long.
Data: <p Ÿ`ö > 70 04 9F 60 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000281ADF1D0E0, 16 bytes long.
Data: < À`ö > 18 C0 9D 60 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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