Task 38681767
| Name | test_519-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND3095_0 |
| Workunit | 31623419 |
| Created | 27 Oct 2026, 5:15:45 UTC |
| Sent | 27 Oct 2026, 5:15:51 UTC |
| Report deadline | 1 Nov 2026, 5:15:51 UTC |
| Received | 27 Oct 2026, 6:27:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651312 |
| Run time | 17 min 33 sec |
| CPU time | 16 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 56,279.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 736.94 MB |
| Peak swap size | 10.03 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:09:39 (28488): wrapper (7.9.26016): starting
01:09:39 (28488): 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
01:09:40 (28488): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:09:40 (28488): 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: Exiting with failure status due to previous errors
01:26:55 (28488): C:/Windows/system32/cmd.exe exited; CPU time 966.343750
01:26:55 (28488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 bytes in 8 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: 22382823 bytes.
Dumping objects ->
{3835289} normal block at 0x000002580FFD6650, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835278} normal block at 0x000002580FFD65E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x000002580FFD6570, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835256} normal block at 0x000002580FFD6500, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000002580FFD6490, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835214} normal block at 0x0000025811D49350, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835203} normal block at 0x000002581002EA60, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835200} normal block at 0x000002580FFCF810, 8 bytes long.
Data: < V X > 00 00 56 10 58 02 00 00
{3834577} normal block at 0x000002581002F900, 135 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x000002580FFD0030, 8 bytes long.
Data: < YÝ X > A0 59 DD 11 58 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000002580FFD0A00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002580FFC6040, 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 0x000002580FFD7B80, 16 bytes long.
Data: <(qý X > 28 71 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002580FFD7EA0, 16 bytes long.
Data: < qý X > 00 71 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002580FFCE8A0, 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 0x000002580FFD7A90, 16 bytes long.
Data: <Øpý X > D8 70 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002580FFD8120, 16 bytes long.
Data: <°pý X > B0 70 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002580FFD7720, 16 bytes long.
Data: < pý X > 88 70 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002580FFD79A0, 16 bytes long.
Data: <`pý X > 60 70 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002580FFD6810, 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 0x000002580FFD76D0, 16 bytes long.
Data: <ÈŽü X > C8 8E FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002580FFCEA80, 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 0x000002580FFD7E50, 16 bytes long.
Data: < Žü X > A0 8E FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002580FFD79F0, 16 bytes long.
Data: <xŽü X > 78 8E FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002580FFD7950, 16 bytes long.
Data: <PŽü X > 50 8E FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002580FFD7CC0, 16 bytes long.
Data: <(Žü X > 28 8E FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002580FFD7900, 16 bytes long.
Data: < Žü X > 00 8E FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002580FFD7E00, 16 bytes long.
Data: <Ø ü X > D8 8D FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002580FFCE960, 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 0x000002580FFD81C0, 16 bytes long.
Data: <° ü X > B0 8D FC 0F 58 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002580FFC8DB0, 320 bytes long.
Data: <À ý X `éü X > C0 81 FD 0F 58 02 00 00 60 E9 FC 0F 58 02 00 00
{273} normal block at 0x000002580FFD8080, 16 bytes long.
Data: <@pý X > 40 70 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002580FFD7A40, 16 bytes long.
Data: < pý X > 18 70 FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002580FFCF260, 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 0x000002580FFD7DB0, 16 bytes long.
Data: <ðoý X > F0 6F FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002580FFCE6C0, 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 0x000002580FFD72C0, 16 bytes long.
Data: <8oý X > 38 6F FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002580FFD7D60, 16 bytes long.
Data: < oý X > 10 6F FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002580FFD74A0, 16 bytes long.
Data: <èný X > E8 6E FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002580FFD7D10, 16 bytes long.
Data: <Àný X > C0 6E FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002580FFD0350, 16 bytes long.
Data: < ný X > 98 6E FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002580FFD0300, 16 bytes long.
Data: <pný X > 70 6E FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002580FFD02B0, 16 bytes long.
Data: <@jý X > 40 6A FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002580FFD6A40, 40 bytes long.
Data: <° ý X P“Ô X > B0 02 FD 0F 58 02 00 00 50 93 D4 11 58 02 00 00
{259} normal block at 0x000002580FFD0210, 16 bytes long.
Data: <Pný X > 50 6E FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002580FFCFFE0, 16 bytes long.
Data: <(ný X > 28 6E FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002580FFCEF60, 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 0x000002580FFCF9F0, 16 bytes long.
Data: < ný X > 00 6E FD 0F 58 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002580FFD6E00, 992 bytes long.
Data: <ðùü X `ïü X > F0 F9 FC 0F 58 02 00 00 60 EF FC 0F 58 02 00 00
{91} normal block at 0x000002580FFCF1A0, 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 0x000002580FFD00D0, 16 bytes long.
Data: < àû X > 00 E0 FB 0F 58 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x000002580FFBE000, 40 bytes long.
Data: <Ð ý X  ñü X > D0 00 FD 0F 58 02 00 00 A0 F1 FC 0F 58 02 00 00
{68} normal block at 0x000002580FFCFAE0, 16 bytes long.
Data: < êŒ ÷ > 80 EA 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002580FFCFF90, 16 bytes long.
Data: <@éŒ ÷ > 40 E9 8C 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002580FFCFF40, 16 bytes long.
Data: <øW‰ ÷ > F8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002580FFCF7C0, 16 bytes long.
Data: <ØW‰ ÷ > D8 57 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002580FFD0260, 16 bytes long.
Data: <P ‰ ÷ > 50 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002580FFCFB80, 16 bytes long.
Data: <0 ‰ ÷ > 30 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002580FFCF590, 16 bytes long.
Data: <à ‰ ÷ > E0 02 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002580FFD03F0, 16 bytes long.
Data: < ‰ ÷ > 10 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002580FFCFE00, 16 bytes long.
Data: <p ‰ ÷ > 70 04 89 81 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002580FFD0440, 16 bytes long.
Data: < À‡ ÷ > 18 C0 87 81 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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