Task 38669328
| Name | test_411-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2245_0 |
| Workunit | 31611688 |
| Created | 25 Oct 2026, 14:16:37 UTC |
| Sent | 25 Oct 2026, 14:16:42 UTC |
| Report deadline | 30 Oct 2026, 14:16:42 UTC |
| Received | 27 Oct 2026, 3:38:34 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652906 |
| Run time | 35 min 51 sec |
| CPU time | 34 min 42 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.48 MB |
| Peak swap size | 8.37 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:01:59 (67520): wrapper (7.9.26016): starting
23:01:59 (67520): 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
23:02:00 (67520): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:02:00 (67520): 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
23:37:31 (67520): C:/Windows/system32/cmd.exe exited; CPU time 2082.531250
23:37:31 (67520): 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: 46303497 bytes.
Dumping objects ->
{3835247} normal block at 0x00000224F4C7FBD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x00000224F4C80500, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835225} normal block at 0x00000224F4C80260, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835214} normal block at 0x00000224F4C7FE00, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x00000224F4C7FD90, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835172} normal block at 0x00000224F4C72660, 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) : {3835159} normal block at 0x00000224F4C700F0, 8 bytes long.
Data: <  ô$ > 00 00 A0 F4 24 02 00 00
{3833953} normal block at 0x00000224F4C704B0, 8 bytes long.
Data: <P×Ëö$ > 50 D7 CB F6 24 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x00000224F4C80D10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000224F4C66E50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x00000224F4C7E830, 16 bytes long.
Data: <8ùÇô$ > 38 F9 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000224F4C7EE20, 16 bytes long.
Data: < ùÇô$ > 10 F9 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000224F4C78A90, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x00000224F4C7E790, 16 bytes long.
Data: <èøÇô$ > E8 F8 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000224F4C7E6F0, 16 bytes long.
Data: <ÀøÇô$ > C0 F8 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000224F4C7F2D0, 16 bytes long.
Data: < øÇô$ > 98 F8 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000224F4C7F280, 16 bytes long.
Data: <pøÇô$ > 70 F8 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000224F4C80110, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x00000224F4C7F230, 16 bytes long.
Data: <h1Çô$ > 68 31 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000224F4C79330, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x00000224F4C7F410, 16 bytes long.
Data: <@1Çô$ > 40 31 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000224F4C7E7E0, 16 bytes long.
Data: < 1Çô$ > 18 31 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000224F4C7ECE0, 16 bytes long.
Data: <ð0Çô$ > F0 30 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000224F4C7ED80, 16 bytes long.
Data: <È0Çô$ > C8 30 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000224F4C7F0F0, 16 bytes long.
Data: < 0Çô$ > A0 30 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000224F4C7E650, 16 bytes long.
Data: <x0Çô$ > 78 30 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000224F4C78790, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x00000224F4C7EBA0, 16 bytes long.
Data: <P0Çô$ > 50 30 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000224F4C73050, 320 bytes long.
Data: < ëÇô$ ‡Çô$ > A0 EB C7 F4 24 02 00 00 90 87 C7 F4 24 02 00 00
{272} normal block at 0x00000224F4C7F050, 16 bytes long.
Data: <PøÇô$ > 50 F8 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000224F4C7EDD0, 16 bytes long.
Data: <(øÇô$ > 28 F8 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000224F4C79630, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x00000224F4C7F3C0, 16 bytes long.
Data: < øÇô$ > 00 F8 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000224F4C78970, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x00000224F4C7E920, 16 bytes long.
Data: <H÷Çô$ > 48 F7 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000224F4C7F190, 16 bytes long.
Data: < ÷Çô$ > 20 F7 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000224F4C7F000, 16 bytes long.
Data: <øöÇô$ > F8 F6 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000224F4C7F370, 16 bytes long.
Data: <ÐöÇô$ > D0 F6 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000224F4C7F500, 16 bytes long.
Data: <¨öÇô$ > A8 F6 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000224F4C7EFB0, 16 bytes long.
Data: < öÇô$ > 80 F6 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000224F4C7EC90, 16 bytes long.
Data: <à Èô$ > E0 05 C8 F4 24 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000224F4C805E0, 40 bytes long.
Data: < ìÇô$ `&Çô$ > 90 EC C7 F4 24 02 00 00 60 26 C7 F4 24 02 00 00
{258} normal block at 0x00000224F4C7EB00, 16 bytes long.
Data: <`öÇô$ > 60 F6 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000224F4C7F0A0, 16 bytes long.
Data: <8öÇô$ > 38 F6 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000224F4C788B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x00000224F4C7F4B0, 16 bytes long.
Data: < öÇô$ > 10 F6 C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000224F4C7F610, 992 bytes long.
Data: <°ôÇô$ ° Çô$ > B0 F4 C7 F4 24 02 00 00 B0 88 C7 F4 24 02 00 00
{90} normal block at 0x00000224F4C78A30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x00000224F4C6FD80, 16 bytes long.
Data: <° Çô$ > B0 0E C7 F4 24 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x00000224F4C70EB0, 40 bytes long.
Data: < ýÆô$ 0ŠÇô$ > 80 FD C6 F4 24 02 00 00 30 8A C7 F4 24 02 00 00
{67} normal block at 0x00000224F4C6FD30, 16 bytes long.
Data: < ê©’÷ > 80 EA A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000224F4C70C30, 16 bytes long.
Data: <@é©’÷ > 40 E9 A9 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000224F4C6FDD0, 16 bytes long.
Data: <øW¦’÷ > F8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000224F4C70BE0, 16 bytes long.
Data: <ØW¦’÷ > D8 57 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000224F4C70460, 16 bytes long.
Data: <P ¦’÷ > 50 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000224F4C70050, 16 bytes long.
Data: <0 ¦’÷ > 30 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000224F4C70500, 16 bytes long.
Data: <à ¦’÷ > E0 02 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000224F4C701E0, 16 bytes long.
Data: < ¦’÷ > 10 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000224F4C70B90, 16 bytes long.
Data: <p ¦’÷ > 70 04 A6 92 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000224F4C70B40, 16 bytes long.
Data: < À¤’÷ > 18 C0 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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