Task 38677670
| Name | test_274-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND4459_0 |
| Workunit | 31619532 |
| Created | 26 Oct 2026, 15:01:47 UTC |
| Sent | 26 Oct 2026, 15:01:54 UTC |
| Report deadline | 31 Oct 2026, 15:01:54 UTC |
| Received | 26 Oct 2026, 15:33:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 582876 |
| Run time | 28 min 39 sec |
| CPU time | 26 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.87 MB |
| Peak swap size | 8.46 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
16:05:20 (15732): wrapper (7.9.26016): starting
16:05:20 (15732): 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
16:05:21 (15732): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:05:21 (15732): 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 'D:\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 'D:\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
16:32:11 (15732): C:/Windows/system32/cmd.exe exited; CPU time 1587.765625
16:32:11 (15732): 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: 28054847 bytes.
Dumping objects ->
{3835278} normal block at 0x0000020D02E29B80, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x0000020D02E04740, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x0000020D02E04660, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835245} normal block at 0x0000020D02E04A50, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x0000020D02E04970, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835203} normal block at 0x0000020D04BDA380, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835192} normal block at 0x0000020D04BEE9D0, 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) : {3835189} normal block at 0x0000020D02DFD190, 8 bytes long.
Data: < J > 00 00 4A 03 0D 02 00 00
{3834567} normal block at 0x0000020D04BEF420, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833962} normal block at 0x0000020D02DFDE10, 8 bytes long.
Data: < ä« > 00 E4 AB 04 0D 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000020D02E01680, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020D02DF5D40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000020D02E05780, 16 bytes long.
Data: <xdà > 78 64 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020D02E05B90, 16 bytes long.
Data: <Pdà > 50 64 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020D02DFEAF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000020D02E052D0, 16 bytes long.
Data: <(dà > 28 64 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020D02E05910, 16 bytes long.
Data: < dà > 00 64 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020D02E053C0, 16 bytes long.
Data: <Øcà > D8 63 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020D02E05500, 16 bytes long.
Data: <°cà > B0 63 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020D02E04C80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000020D02E05D70, 16 bytes long.
Data: < ±Þ > 18 B1 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020D02DFEDF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000020D02E05460, 16 bytes long.
Data: <ð°Þ > F0 B0 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020D02E05D20, 16 bytes long.
Data: <È°Þ > C8 B0 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020D02E05EB0, 16 bytes long.
Data: < °Þ > A0 B0 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020D02E05CD0, 16 bytes long.
Data: <x°Þ > 78 B0 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020D02E05730, 16 bytes long.
Data: <P°Þ > 50 B0 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020D02E05640, 16 bytes long.
Data: <(°Þ > 28 B0 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020D02DFF9F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000020D02E055F0, 16 bytes long.
Data: < °Þ > 00 B0 DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020D02DEB000, 320 bytes long.
Data: <ðUà ðùß > F0 55 E0 02 0D 02 00 00 F0 F9 DF 02 0D 02 00 00
{274} normal block at 0x0000020D02E05690, 16 bytes long.
Data: < cà > 90 63 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020D02E05190, 16 bytes long.
Data: <hcà > 68 63 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020D02DFF810, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000020D02E05E60, 16 bytes long.
Data: <@cà > 40 63 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020D02DFF930, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000020D02E06090, 16 bytes long.
Data: < bà > 88 62 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020D02E059B0, 16 bytes long.
Data: <`bà > 60 62 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020D02E05E10, 16 bytes long.
Data: <8bà > 38 62 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020D02E05C80, 16 bytes long.
Data: < bà > 10 62 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020D02E05A00, 16 bytes long.
Data: <èaà > E8 61 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020D02E057D0, 16 bytes long.
Data: <Àaà > C0 61 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020D02E05C30, 16 bytes long.
Data: <ÀJà > C0 4A E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020D02E04AC0, 40 bytes long.
Data: <0\à £½ > 30 5C E0 02 0D 02 00 00 80 A3 BD 04 0D 02 00 00
{260} normal block at 0x0000020D02E056E0, 16 bytes long.
Data: < aà > A0 61 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020D02E055A0, 16 bytes long.
Data: <xaà > 78 61 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020D02DFF330, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000020D02E05A50, 16 bytes long.
Data: <Paà > 50 61 E0 02 0D 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020D02E06150, 992 bytes long.
Data: <PZà 0óß > 50 5A E0 02 0D 02 00 00 30 F3 DF 02 0D 02 00 00
{92} normal block at 0x0000020D02DFF990, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000020D02DFDEB0, 16 bytes long.
Data: <PÛÞ > 50 DB DE 02 0D 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000020D02DEDB50, 40 bytes long.
Data: <°Þß ùß > B0 DE DF 02 0D 02 00 00 90 F9 DF 02 0D 02 00 00
{69} normal block at 0x0000020D02DFD3C0, 16 bytes long.
Data: < ê dö > 80 EA 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020D02DFDE60, 16 bytes long.
Data: <@é dö > 40 E9 08 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020D02DFDD70, 16 bytes long.
Data: <øW dö > F8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020D02DFD050, 16 bytes long.
Data: <ØW dö > D8 57 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020D02DFD280, 16 bytes long.
Data: <P dö > 50 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020D02DFDCD0, 16 bytes long.
Data: <0 dö > 30 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020D02DFD640, 16 bytes long.
Data: <à dö > E0 02 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020D02DFD7D0, 16 bytes long.
Data: < dö > 10 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020D02DFD780, 16 bytes long.
Data: <p dö > 70 04 05 64 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020D02DFD5A0, 16 bytes long.
Data: < À dö > 18 C0 03 64 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra