Task 38665715
| Name | test_582-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND2462_0 |
| Workunit | 31608787 |
| Created | 25 Oct 2026, 1:28:16 UTC |
| Sent | 25 Oct 2026, 1:46:12 UTC |
| Report deadline | 30 Oct 2026, 1:46:12 UTC |
| Received | 26 Oct 2026, 13:35:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654840 |
| Run time | 1 hours 55 min 46 sec |
| CPU time | 1 hours 34 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,029.85 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 748.09 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:42:58 (46824): wrapper (7.9.26016): starting
06:42:58 (46824): 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
06:43:00 (46824): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:43:00 (46824): 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
08:35:08 (46824): C:/Windows/system32/cmd.exe exited; CPU time 5650.859375
08:35:08 (46824): 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: 190805593 bytes.
Dumping objects ->
{3835485} normal block at 0x0000026F3B513D10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835474} normal block at 0x0000026F3B513C30, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835463} normal block at 0x0000026F3B513E60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835452} normal block at 0x0000026F3B5142C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835441} normal block at 0x0000026F3B513D80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835410} normal block at 0x0000026F3E0B24F0, 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) : {3835397} normal block at 0x0000026F3B5090D0, 8 bytes long.
Data: < ~;o > 00 00 7E 3B 6F 02 00 00
{3833949} normal block at 0x0000026F3B509710, 8 bytes long.
Data: <p0 >o > 70 30 19 3E 6F 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000026F3B505400, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026F3B50E970, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x0000026F3B5151B0, 16 bytes long.
Data: <(WQ;o > 28 57 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026F3B514E40, 16 bytes long.
Data: < WQ;o > 00 57 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026F3B510220, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x0000026F3B5148A0, 16 bytes long.
Data: <ØVQ;o > D8 56 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026F3B514B70, 16 bytes long.
Data: <°VQ;o > B0 56 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026F3B514D00, 16 bytes long.
Data: < VQ;o > 88 56 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000026F3B514800, 16 bytes long.
Data: <`VQ;o > 60 56 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026F3B514090, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x0000026F3B514490, 16 bytes long.
Data: <xôO;o > 78 F4 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026F3B5105E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x0000026F3B515390, 16 bytes long.
Data: <PôO;o > 50 F4 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026F3B5147B0, 16 bytes long.
Data: <(ôO;o > 28 F4 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026F3B515160, 16 bytes long.
Data: < ôO;o > 00 F4 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026F3B514530, 16 bytes long.
Data: <ØóO;o > D8 F3 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026F3B514DF0, 16 bytes long.
Data: <°óO;o > B0 F3 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026F3B514760, 16 bytes long.
Data: < óO;o > 88 F3 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026F3B50F9E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x0000026F3B514D50, 16 bytes long.
Data: <`óO;o > 60 F3 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026F3B4FF360, 320 bytes long.
Data: <PMQ;o àùP;o > 50 4D 51 3B 6F 02 00 00 E0 F9 50 3B 6F 02 00 00
{270} normal block at 0x0000026F3B514710, 16 bytes long.
Data: <@VQ;o > 40 56 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026F3B514670, 16 bytes long.
Data: < VQ;o > 18 56 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026F3B5101C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x0000026F3B514620, 16 bytes long.
Data: <ðUQ;o > F0 55 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026F3B510160, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x0000026F3B5149E0, 16 bytes long.
Data: <8UQ;o > 38 55 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026F3B514FD0, 16 bytes long.
Data: < UQ;o > 10 55 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026F3B514C10, 16 bytes long.
Data: <èTQ;o > E8 54 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026F3B514440, 16 bytes long.
Data: <ÀTQ;o > C0 54 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026F3B5146C0, 16 bytes long.
Data: < TQ;o > 98 54 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026F3B514F30, 16 bytes long.
Data: <pTQ;o > 70 54 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026F3B514E90, 16 bytes long.
Data: < @Q;o > 20 40 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026F3B514020, 40 bytes long.
Data: < NQ;o ð$ >o > 90 4E 51 3B 6F 02 00 00 F0 24 0B 3E 6F 02 00 00
{256} normal block at 0x0000026F3B514B20, 16 bytes long.
Data: <PTQ;o > 50 54 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000026F3B514580, 16 bytes long.
Data: <(TQ;o > 28 54 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000026F3B510580, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x0000026F3B514DA0, 16 bytes long.
Data: < TQ;o > 00 54 51 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000026F3B515400, 992 bytes long.
Data: < MQ;o Q;o > A0 4D 51 3B 6F 02 00 00 80 05 51 3B 6F 02 00 00
{88} normal block at 0x0000026F3B50FB00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x0000026F3B509A30, 16 bytes long.
Data: < ØO;o > 80 D8 4F 3B 6F 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x0000026F3B4FD880, 40 bytes long.
Data: <0šP;o ûP;o > 30 9A 50 3B 6F 02 00 00 00 FB 50 3B 6F 02 00 00
{65} normal block at 0x0000026F3B509850, 16 bytes long.
Data: < ê¢õö > 80 EA A2 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026F3B509A80, 16 bytes long.
Data: <@é¢õö > 40 E9 A2 F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026F3B509350, 16 bytes long.
Data: <øWŸõö > F8 57 9F F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026F3B508EF0, 16 bytes long.
Data: <ØWŸõö > D8 57 9F F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026F3B509C60, 16 bytes long.
Data: <P Ÿõö > 50 04 9F F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026F3B509760, 16 bytes long.
Data: <0 Ÿõö > 30 04 9F F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000026F3B508F40, 16 bytes long.
Data: <à Ÿõö > E0 02 9F F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000026F3B509C10, 16 bytes long.
Data: < Ÿõö > 10 04 9F F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000026F3B509210, 16 bytes long.
Data: <p Ÿõö > 70 04 9F F5 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000026F3B509B20, 16 bytes long.
Data: < À õö > 18 C0 9D F5 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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