Task 38674342
| Name | test_172-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND1659_1 |
| Workunit | 31616142 |
| Created | 26 Oct 2026, 5:02:06 UTC |
| Sent | 26 Oct 2026, 5:02:14 UTC |
| Report deadline | 31 Oct 2026, 5:02:14 UTC |
| Received | 26 Oct 2026, 5:37:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627058 |
| Run time | 27 min 15 sec |
| CPU time | 25 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 759.90 MB |
| Peak swap size | 12.96 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
06:09:21 (5948): wrapper (7.9.26016): starting
06:09:21 (5948): 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
06:09:22 (5948): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:09:22 (5948): 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\60\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\60\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: Exiting with failure status due to previous errors
06:36:04 (5948): C:/Windows/system32/cmd.exe exited; CPU time 1535.062500
06:36:04 (5948): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 29811265 bytes.
Dumping objects ->
{3835806} normal block at 0x00000230EDFF4FC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835795} normal block at 0x00000230EDFF4F50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835784} normal block at 0x00000230EDFF5340, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835773} normal block at 0x00000230EDFF58F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835762} normal block at 0x00000230EDFF56C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835731} normal block at 0x00000230EFD20B70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835718} normal block at 0x00000230EDFA1C60, 8 bytes long.
Data: < Tî0 > 00 00 54 EE 30 02 00 00
{3834249} normal block at 0x00000230EDFA1BC0, 8 bytes long.
Data: <pg î0 > 70 67 07 EE 30 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000230EDF9CC60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000230EDF95C10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000230EDFAA420, 16 bytes long.
Data: <¸§úí0 > B8 A7 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000230EDFA9AC0, 16 bytes long.
Data: < §úí0 > 90 A7 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000230EDFA53D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000230EDFA9C50, 16 bytes long.
Data: <h§úí0 > 68 A7 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000230EDFAA060, 16 bytes long.
Data: <@§úí0 > 40 A7 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000230EDFAA3D0, 16 bytes long.
Data: < §úí0 > 18 A7 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000230EDFA9A70, 16 bytes long.
Data: <ð¦úí0 > F0 A6 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000230EDFA3470, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000230EDFA99D0, 16 bytes long.
Data: <h6ùí0 > 68 36 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000230EDFA5190, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000230EDFAA1F0, 16 bytes long.
Data: <@6ùí0 > 40 36 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000230EDFA94D0, 16 bytes long.
Data: < 6ùí0 > 18 36 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000230EDFA9980, 16 bytes long.
Data: <ð5ùí0 > F0 35 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000230EDFA9A20, 16 bytes long.
Data: <È5ùí0 > C8 35 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000230EDFA9930, 16 bytes long.
Data: < 5ùí0 > A0 35 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000230EDFA97A0, 16 bytes long.
Data: <x5ùí0 > 78 35 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000230EDFA58B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000230EDFA95C0, 16 bytes long.
Data: <P5ùí0 > 50 35 F9 ED 30 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000230EDF93550, 320 bytes long.
Data: <À•úí0 °Xúí0 > C0 95 FA ED 30 02 00 00 B0 58 FA ED 30 02 00 00
{279} normal block at 0x00000230EDFAA380, 16 bytes long.
Data: <Цúí0 > D0 A6 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000230EDFA9DE0, 16 bytes long.
Data: <¨¦úí0 > A8 A6 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000230EDFA59D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000230EDFAA240, 16 bytes long.
Data: < ¦úí0 > 80 A6 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000230EDFA5070, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000230EDFA9840, 16 bytes long.
Data: <È¥úí0 > C8 A5 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000230EDFA9750, 16 bytes long.
Data: < ¥úí0 > A0 A5 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000230EDFAA290, 16 bytes long.
Data: <x¥úí0 > 78 A5 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000230EDFAA010, 16 bytes long.
Data: <P¥úí0 > 50 A5 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000230EDFAA1A0, 16 bytes long.
Data: <(¥úí0 > 28 A5 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000230EDFAA2E0, 16 bytes long.
Data: < ¥úí0 > 00 A5 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000230EDFA9D90, 16 bytes long.
Data: <°9úí0 > B0 39 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000230EDFA39B0, 40 bytes long.
Data: < úí0 p Òï0 > 90 9D FA ED 30 02 00 00 70 0B D2 EF 30 02 00 00
{265} normal block at 0x00000230EDFA9700, 16 bytes long.
Data: <à¤úí0 > E0 A4 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000230EDFA9890, 16 bytes long.
Data: <¸¤úí0 > B8 A4 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000230EDFA5C70, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000230EDFA9570, 16 bytes long.
Data: < ¤úí0 > 90 A4 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000230EDFAA490, 992 bytes long.
Data: <p•úí0 p\úí0 > 70 95 FA ED 30 02 00 00 70 5C FA ED 30 02 00 00
{97} normal block at 0x00000230EDFA5730, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000230EDFA1DF0, 16 bytes long.
Data: <À5úí0 > C0 35 FA ED 30 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000230EDFA35C0, 40 bytes long.
Data: <ð úí0 0Wúí0 > F0 1D FA ED 30 02 00 00 30 57 FA ED 30 02 00 00
{74} normal block at 0x00000230EDFA1990, 16 bytes long.
Data: < ê‡dö > 80 EA 87 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000230EDFA1DA0, 16 bytes long.
Data: <@é‡dö > 40 E9 87 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000230EDFA2160, 16 bytes long.
Data: <øW„dö > F8 57 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000230EDFA26B0, 16 bytes long.
Data: <ØW„dö > D8 57 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000230EDFA1C10, 16 bytes long.
Data: <P „dö > 50 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000230EDFA2660, 16 bytes long.
Data: <0 „dö > 30 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000230EDFA1B70, 16 bytes long.
Data: <à „dö > E0 02 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000230EDFA2110, 16 bytes long.
Data: < „dö > 10 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000230EDFA2610, 16 bytes long.
Data: <p „dö > 70 04 84 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000230EDFA1760, 16 bytes long.
Data: < À‚dö > 18 C0 82 64 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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