Task 38672824
| Name | test_412-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND2255_0 |
| Workunit | 31614939 |
| Created | 26 Oct 2026, 0:35:35 UTC |
| Sent | 26 Oct 2026, 0:35:39 UTC |
| Report deadline | 31 Oct 2026, 0:35:39 UTC |
| Received | 26 Oct 2026, 1:17:57 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641471 |
| Run time | 20 min 21 sec |
| CPU time | 18 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,609.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 730.81 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:57:17 (8236): wrapper (7.9.26016): starting
00:57:17 (8236): 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
00:57:18 (8236): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:57:18 (8236): 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
01:16:51 (8236): C:/Windows/system32/cmd.exe exited; CPU time 1111.578125
01:16:51 (8236): 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: 20635205 bytes.
Dumping objects ->
{3835253} normal block at 0x0000029AA5ACD420, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835242} normal block at 0x0000029AA3EB4B80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835231} normal block at 0x0000029AA3EB4AA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835220} normal block at 0x0000029AA3EB4CD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x0000029AA3EB4B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835178} normal block at 0x0000029AA5B1B8D0, 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) : {3835165} normal block at 0x0000029AA3EAFD80, 8 bytes long.
Data: < 壚 > 00 00 E5 A3 9A 02 00 00
{3833961} normal block at 0x0000029AA3EB03C0, 8 bytes long.
Data: < <·¥š > A0 3C B7 A5 9A 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000029AA3EB1510, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000029AA3EA6560, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000029AA3EB5F60, 16 bytes long.
Data: < Y룚 > 18 59 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000029AA3EB6050, 16 bytes long.
Data: <ðX룚 > F0 58 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000029AA3EAF870, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000029AA3EB5C90, 16 bytes long.
Data: <ÈX룚 > C8 58 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000029AA3EB6370, 16 bytes long.
Data: < X룚 > A0 58 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000029AA3EB5C40, 16 bytes long.
Data: <xX룚 > 78 58 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000029AA3EB5A60, 16 bytes long.
Data: <PX룚 > 50 58 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000029AA3EB4E90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000029AA3EB6000, 16 bytes long.
Data: <hè꣚ > 68 E8 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000029AA3EAF270, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000029AA3EB5FB0, 16 bytes long.
Data: <@è꣚ > 40 E8 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000029AA3EB69B0, 16 bytes long.
Data: < è꣚ > 18 E8 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000029AA3EB6730, 16 bytes long.
Data: <ðç꣚ > F0 E7 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000029AA3EB6960, 16 bytes long.
Data: <Èç꣚ > C8 E7 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000029AA3EB60F0, 16 bytes long.
Data: < ç꣚ > A0 E7 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000029AA3EB64B0, 16 bytes long.
Data: <xç꣚ > 78 E7 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000029AA3EAF7B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000029AA3EB62D0, 16 bytes long.
Data: <Pç꣚ > 50 E7 EA A3 9A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000029AA3EAE750, 320 bytes long.
Data: <Ðb룚 °÷꣚ > D0 62 EB A3 9A 02 00 00 B0 F7 EA A3 9A 02 00 00
{276} normal block at 0x0000029AA3EB63C0, 16 bytes long.
Data: <0X룚 > 30 58 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000029AA3EB6690, 16 bytes long.
Data: < X룚 > 08 58 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000029AA3EAF1B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000029AA3EB6820, 16 bytes long.
Data: <àW룚 > E0 57 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000029AA3EAF630, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000029AA3EB5E70, 16 bytes long.
Data: <(W룚 > 28 57 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000029AA3EB5B50, 16 bytes long.
Data: < W룚 > 00 57 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000029AA3EB5BF0, 16 bytes long.
Data: <ØV룚 > D8 56 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000029AA3EB6910, 16 bytes long.
Data: <°V룚 > B0 56 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000029AA3EAFD30, 16 bytes long.
Data: < V룚 > 88 56 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000029AA3EAFCE0, 16 bytes long.
Data: <`V룚 > 60 56 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000029AA3EAFC40, 16 bytes long.
Data: <PP룚 > 50 50 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000029AA3EB5050, 40 bytes long.
Data: <@ü꣚ и±¥š > 40 FC EA A3 9A 02 00 00 D0 B8 B1 A5 9A 02 00 00
{262} normal block at 0x0000029AA3EAFBF0, 16 bytes long.
Data: <@V룚 > 40 56 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000029AA3EAFB00, 16 bytes long.
Data: < V룚 > 18 56 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000029AA3EAF750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000029AA3EB0000, 16 bytes long.
Data: <ðU룚 > F0 55 EB A3 9A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000029AA3EB55F0, 992 bytes long.
Data: < 룚 P÷꣚ > 00 00 EB A3 9A 02 00 00 50 F7 EA A3 9A 02 00 00
{94} normal block at 0x0000029AA3EAF0F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000029AA3EB02D0, 16 bytes long.
Data: <àð飚 > E0 F0 E9 A3 9A 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000029AA3E9F0E0, 40 bytes long.
Data: <Р룚 ðð꣚ > D0 02 EB A3 9A 02 00 00 F0 F0 EA A3 9A 02 00 00
{71} normal block at 0x0000029AA3EB00F0, 16 bytes long.
Data: < êfP÷ > 80 EA 66 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000029AA3EB0500, 16 bytes long.
Data: <@éfP÷ > 40 E9 66 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000029AA3EB0460, 16 bytes long.
Data: <øWcP÷ > F8 57 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000029AA3EB09B0, 16 bytes long.
Data: <ØWcP÷ > D8 57 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000029AA3EB0140, 16 bytes long.
Data: <P cP÷ > 50 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000029AA3EAFC90, 16 bytes long.
Data: <0 cP÷ > 30 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000029AA3EB08C0, 16 bytes long.
Data: <à cP÷ > E0 02 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000029AA3EB0320, 16 bytes long.
Data: < cP÷ > 10 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000029AA3EB05A0, 16 bytes long.
Data: <p cP÷ > 70 04 63 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000029AA3EB0230, 16 bytes long.
Data: < ÀaP÷ > 18 C0 61 50 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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