Task 38686658
| Name | test_702-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND5484_0 |
| Workunit | 31628081 |
| Created | 28 Oct 2026, 3:44:56 UTC |
| Sent | 28 Oct 2026, 3:45:07 UTC |
| Report deadline | 2 Nov 2026, 3:45:07 UTC |
| Received | 28 Oct 2026, 4:12:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652004 |
| Run time | 26 min 15 sec |
| CPU time | 25 min 7 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 48,740.91 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.13 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 3.72 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:46:30 (6960): wrapper (7.9.26016): starting
21:46:30 (6960): 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
21:46:31 (6960): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:46:31 (6960): 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
22:12:18 (6960): C:/Windows/system32/cmd.exe exited; CPU time 1507.375000
22:12:18 (6960): 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: 8484091 bytes.
Dumping objects ->
{3835257} normal block at 0x0000020C91DA55B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835246} normal block at 0x0000020C91DA5460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835235} normal block at 0x0000020C91DA5620, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835224} normal block at 0x0000020C91DA54D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835213} normal block at 0x0000020C91DA53F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835182} normal block at 0x0000020C93BC91F0, 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) : {3835169} normal block at 0x0000020C91D9F210, 8 bytes long.
Data: < #’ > 00 00 23 92 0C 02 00 00
{3833955} normal block at 0x0000020C91D9FBC0, 8 bytes long.
Data: < LÚ‘ > A0 4C DA 91 0C 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020C91DA1190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020C91D97350, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000020C91DA69F0, 16 bytes long.
Data: <XcÚ‘ > 58 63 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020C91DA6CC0, 16 bytes long.
Data: <0cÚ‘ > 30 63 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020C91DA0640, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000020C91DA7030, 16 bytes long.
Data: < cÚ‘ > 08 63 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020C91DA72B0, 16 bytes long.
Data: <àbÚ‘ > E0 62 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020C91DA6590, 16 bytes long.
Data: <¸bÚ‘ > B8 62 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020C91DA7170, 16 bytes long.
Data: < bÚ‘ > 90 62 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020C91DA57E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000020C91DA64A0, 16 bytes long.
Data: <ø´Ø‘ > F8 B4 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020C91DA0880, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000020C91DA6540, 16 bytes long.
Data: <дؑ > D0 B4 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020C91DA68B0, 16 bytes long.
Data: <¨´Ø‘ > A8 B4 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020C91DA69A0, 16 bytes long.
Data: < ´Ø‘ > 80 B4 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020C91DA6950, 16 bytes long.
Data: <X´Ø‘ > 58 B4 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020C91DA6B80, 16 bytes long.
Data: <0´Ø‘ > 30 B4 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020C91DA64F0, 16 bytes long.
Data: < ´Ø‘ > 08 B4 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020C91DA05E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000020C91DA6900, 16 bytes long.
Data: <à³Ø‘ > E0 B3 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020C91D8B3E0, 320 bytes long.
Data: < iÚ‘ à Ú‘ > 00 69 DA 91 0C 02 00 00 E0 05 DA 91 0C 02 00 00
{273} normal block at 0x0000020C91DA6C20, 16 bytes long.
Data: <pbÚ‘ > 70 62 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020C91DA6EF0, 16 bytes long.
Data: <HbÚ‘ > 48 62 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020C91DA0B80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000020C91DA6DB0, 16 bytes long.
Data: < bÚ‘ > 20 62 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020C91DA0D00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000020C91DA73A0, 16 bytes long.
Data: <haÚ‘ > 68 61 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020C91DA7300, 16 bytes long.
Data: <@aÚ‘ > 40 61 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020C91DA6860, 16 bytes long.
Data: < aÚ‘ > 18 61 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020C91DA7080, 16 bytes long.
Data: <ð`Ú‘ > F0 60 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020C91DA6810, 16 bytes long.
Data: <È`Ú‘ > C8 60 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020C91D9F1C0, 16 bytes long.
Data: < `Ú‘ > A0 60 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020C91D9FE40, 16 bytes long.
Data: <@UÚ‘ > 40 55 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020C91DA5540, 40 bytes long.
Data: <@þÙ‘ 𑼓 > 40 FE D9 91 0C 02 00 00 F0 91 BC 93 0C 02 00 00
{259} normal block at 0x0000020C91D9FB20, 16 bytes long.
Data: < `Ú‘ > 80 60 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020C91D9F170, 16 bytes long.
Data: <X`Ú‘ > 58 60 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020C91DA07C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000020C91D9F120, 16 bytes long.
Data: <0`Ú‘ > 30 60 DA 91 0C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000020C91DA6030, 992 bytes long.
Data: < ñÙ‘ À Ú‘ > 20 F1 D9 91 0C 02 00 00 C0 07 DA 91 0C 02 00 00
{91} normal block at 0x0000020C91DA0580, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000020C91D9FCB0, 16 bytes long.
Data: < ÁØ‘ > 00 C1 D8 91 0C 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000020C91D8C100, 40 bytes long.
Data: <°üÙ‘ Ú‘ > B0 FC D9 91 0C 02 00 00 80 05 DA 91 0C 02 00 00
{68} normal block at 0x0000020C91D9F990, 16 bytes long.
Data: < ê …÷ > 80 EA 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020C91D9FF80, 16 bytes long.
Data: <@é …÷ > 40 E9 02 85 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020C91D9FC60, 16 bytes long.
Data: <øWÿ„÷ > F8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020C91D9F5D0, 16 bytes long.
Data: <ØWÿ„÷ > D8 57 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020C91D9FDF0, 16 bytes long.
Data: <P ÿ„÷ > 50 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020C91D9F530, 16 bytes long.
Data: <0 ÿ„÷ > 30 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020C91D9F080, 16 bytes long.
Data: <à ÿ„÷ > E0 02 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020C91D9F300, 16 bytes long.
Data: < ÿ„÷ > 10 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020C91D9FC10, 16 bytes long.
Data: <p ÿ„÷ > 70 04 FF 84 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020C91D9FA30, 16 bytes long.
Data: < Àý„÷ > 18 C0 FD 84 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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