Task 38652980
| Name | test_338-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND4968_0 |
| Workunit | 31597028 |
| Created | 24 Oct 2026, 4:50:43 UTC |
| Sent | 24 Oct 2026, 6:11:48 UTC |
| Report deadline | 29 Oct 2026, 6:11:48 UTC |
| Received | 24 Oct 2026, 7:22:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 642350 |
| Run time | 31 min 29 sec |
| CPU time | 29 min 29 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,408.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 722.00 MB |
| Peak swap size | 9.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:52:07 (375592): wrapper (7.9.26016): starting
01:52:07 (375592): 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
01:52:08 (375592): Library/usr/bin/tar.exe exited; CPU time 0.046875
01:52:08 (375592): 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
02:22:21 (375592): C:/Windows/system32/cmd.exe exited; CPU time 1769.140625
02:22:21 (375592): 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: 39992687 bytes.
Dumping objects ->
{3835248} normal block at 0x000002611E7FC290, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000002611E7FC8B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000002611E7FCD80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x000002611E7FC5A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000002611E7FC6F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x000002611E7FC180, 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) : {3835160} normal block at 0x000002611C96C9C0, 8 bytes long.
Data: < ‘ a > 00 00 91 1C 61 02 00 00
{3833959} normal block at 0x000002611C96C920, 8 bytes long.
Data: <ðG a > F0 47 99 1C 61 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002611C94AC20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002611C94C9F0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000002611C96C6F0, 16 bytes long.
Data: <hf– a > 68 66 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002611C96C6A0, 16 bytes long.
Data: <@f– a > 40 66 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002611C96E030, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000002611C96C650, 16 bytes long.
Data: < f– a > 18 66 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002611C96C880, 16 bytes long.
Data: <ðe– a > F0 65 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002611C96C600, 16 bytes long.
Data: <Èe– a > C8 65 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002611C96C510, 16 bytes long.
Data: < e– a > A0 65 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002611C968240, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000002611C96C7E0, 16 bytes long.
Data: <ȉ– a > C8 89 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002611C96E7B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000002611C96C3D0, 16 bytes long.
Data: < ‰– a > A0 89 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002611C96C380, 16 bytes long.
Data: <x‰– a > 78 89 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002611C96C2E0, 16 bytes long.
Data: <P‰– a > 50 89 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002611C96C1F0, 16 bytes long.
Data: <(‰– a > 28 89 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002611C96BFC0, 16 bytes long.
Data: < ‰– a > 00 89 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002611C96BF20, 16 bytes long.
Data: <Ø – a > D8 88 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002611C96E390, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000002611C96C420, 16 bytes long.
Data: <° – a > B0 88 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002611C9688B0, 320 bytes long.
Data: < Ä– a ã– a > 20 C4 96 1C 61 02 00 00 90 E3 96 1C 61 02 00 00
{275} normal block at 0x000002611C96C470, 16 bytes long.
Data: < e– a > 80 65 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002611C96CA60, 16 bytes long.
Data: <Xe– a > 58 65 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002611C96E150, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000002611C96CB00, 16 bytes long.
Data: <0e– a > 30 65 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002611C96EA50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000002611C96C1A0, 16 bytes long.
Data: <xd– a > 78 64 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002611C96C0B0, 16 bytes long.
Data: <Pd– a > 50 64 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002611C96BDE0, 16 bytes long.
Data: <(d– a > 28 64 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002611C96C100, 16 bytes long.
Data: < d– a > 00 64 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002611C96C8D0, 16 bytes long.
Data: <Øc– a > D8 63 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002611C96C830, 16 bytes long.
Data: <°c– a > B0 63 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002611C96BF70, 16 bytes long.
Data: < „– a > 00 84 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002611C968400, 40 bytes long.
Data: <p¿– a Á a > 70 BF 96 1C 61 02 00 00 80 C1 7F 1E 61 02 00 00
{261} normal block at 0x000002611C96BD40, 16 bytes long.
Data: < c– a > 90 63 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002611C96BD90, 16 bytes long.
Data: <hc– a > 68 63 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002611C952F60, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000002611C96BE30, 16 bytes long.
Data: <@c– a > 40 63 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002611C966340, 992 bytes long.
Data: <0¾– a `/• a > 30 BE 96 1C 61 02 00 00 60 2F 95 1C 61 02 00 00
{93} normal block at 0x000002611C952F00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000002611C959440, 16 bytes long.
Data: < ‡– a > 10 87 96 1C 61 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000002611C968710, 40 bytes long.
Data: <@”• a /• a > 40 94 95 1C 61 02 00 00 00 2F 95 1C 61 02 00 00
{70} normal block at 0x000002611C958F40, 16 bytes long.
Data: < êÿšö > 80 EA FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002611C9593F0, 16 bytes long.
Data: <@éÿšö > 40 E9 FF 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002611C958EF0, 16 bytes long.
Data: <øWüšö > F8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002611C959350, 16 bytes long.
Data: <ØWüšö > D8 57 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002611C959C10, 16 bytes long.
Data: <P üšö > 50 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002611C9597B0, 16 bytes long.
Data: <0 üšö > 30 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002611C959B70, 16 bytes long.
Data: <à üšö > E0 02 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002611C958E50, 16 bytes long.
Data: < üšö > 10 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002611C959A80, 16 bytes long.
Data: <p üšö > 70 04 FC 9A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002611C9593A0, 16 bytes long.
Data: < Àúšö > 18 C0 FA 9A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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