Task 38652485
| Name | test_573-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND8392_2 |
| Workunit | 31595156 |
| Created | 24 Oct 2026, 3:57:41 UTC |
| Sent | 24 Oct 2026, 4:09:31 UTC |
| Report deadline | 29 Oct 2026, 4:09:31 UTC |
| Received | 24 Oct 2026, 4:37:27 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 156955 |
| Run time | 26 min 34 sec |
| CPU time | 23 min 8 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 22,242.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 711.66 MB |
| Peak swap size | 8.48 GB |
| Peak disk usage | 3.58 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
06:12:52 (23912): wrapper (7.9.26016): starting
06:12:52 (23912): 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
06:12:57 (23912): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:12:57 (23912): 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 'D:\Boinc_data\slots\1\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 'D:\Boinc_data\slots\1\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
06:36:58 (23912): C:/Windows/system32/cmd.exe exited; CPU time 1388.796875
06:36:58 (23912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 30999437 bytes.
Dumping objects ->
{3835307} normal block at 0x0000023802336790, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835296} normal block at 0x00000238040A48D0, 32 bytes long.
Data: <HOME=D:\Boinc_da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835285} normal block at 0x00000238040A3C70, 32 bytes long.
Data: <TMP=D:\Boinc_dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61 74
{3835274} normal block at 0x00000238040A3970, 32 bytes long.
Data: <TEMP=D:\Boinc_da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835263} normal block at 0x00000238040A3730, 32 bytes long.
Data: <TMPDIR=D:\Boinc_> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5F
{3835232} normal block at 0x00000238023368E0, 48 bytes long.
Data: <PATH=D:\Boinc_da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5F 64 61
{3835221} normal block at 0x000002380406E240, 102 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) : {3835218} normal block at 0x0000023802307550, 8 bytes long.
Data: < à 8 > 00 00 E0 03 38 02 00 00
{3834570} normal block at 0x000002380406E870, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000238023070A0, 8 bytes long.
Data: <ðf 8 > F0 66 12 04 38 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023802311AB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002380230D690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000023802313040, 16 bytes long.
Data: <ØA1 8 > D8 41 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023802312F50, 16 bytes long.
Data: <°A1 8 > B0 41 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002380230BCD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000023802312EB0, 16 bytes long.
Data: < A1 8 > 88 41 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000238023139A0, 16 bytes long.
Data: <`A1 8 > 60 41 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023802313860, 16 bytes long.
Data: <8A1 8 > 38 41 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023802312DC0, 16 bytes long.
Data: < A1 8 > 10 41 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002380230DE30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000023802312C80, 16 bytes long.
Data: < )1 8 > 88 29 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002380230C570, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000023802313810, 16 bytes long.
Data: <`)1 8 > 60 29 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000238023136D0, 16 bytes long.
Data: <8)1 8 > 38 29 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000238023131D0, 16 bytes long.
Data: < )1 8 > 10 29 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000238023137C0, 16 bytes long.
Data: <è(1 8 > E8 28 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023802312FF0, 16 bytes long.
Data: <À(1 8 > C0 28 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023802312D70, 16 bytes long.
Data: < (1 8 > 98 28 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002380230BC70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000023802312E60, 16 bytes long.
Data: <p(1 8 > 70 28 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023802312870, 320 bytes long.
Data: <`.1 8 p¼0 8 > 60 2E 31 02 38 02 00 00 70 BC 30 02 38 02 00 00
{274} normal block at 0x00000238023132C0, 16 bytes long.
Data: <ð@1 8 > F0 40 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023802312BE0, 16 bytes long.
Data: <È@1 8 > C8 40 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002380230BD90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000238023135E0, 16 bytes long.
Data: < @1 8 > A0 40 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002380230BBB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000023802313770, 16 bytes long.
Data: <è?1 8 > E8 3F 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023802312FA0, 16 bytes long.
Data: <À?1 8 > C0 3F 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023802312CD0, 16 bytes long.
Data: < ?1 8 > 98 3F 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023802312B90, 16 bytes long.
Data: <p?1 8 > 70 3F 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000238023134A0, 16 bytes long.
Data: <H?1 8 > 48 3F 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023802313180, 16 bytes long.
Data: < ?1 8 > 20 3F 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023802313090, 16 bytes long.
Data: <pÜ0 8 > 70 DC 30 02 38 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002380230DC70, 40 bytes long.
Data: < 01 8 àh3 8 > 90 30 31 02 38 02 00 00 E0 68 33 02 38 02 00 00
{260} normal block at 0x0000023802313720, 16 bytes long.
Data: < ?1 8 > 00 3F 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023802312C30, 16 bytes long.
Data: <Ø>1 8 > D8 3E 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002380230C6F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000023802312F00, 16 bytes long.
Data: <°>1 8 > B0 3E 31 02 38 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023802313EB0, 992 bytes long.
Data: < /1 8 ðÆ0 8 > 00 2F 31 02 38 02 00 00 F0 C6 30 02 38 02 00 00
{92} normal block at 0x000002380230C390, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000238023070F0, 16 bytes long.
Data: <@Ú0 8 > 40 DA 30 02 38 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002380230DA40, 40 bytes long.
Data: <ðp0 8 Ã0 8 > F0 70 30 02 38 02 00 00 90 C3 30 02 38 02 00 00
{69} normal block at 0x0000023802306F10, 16 bytes long.
Data: < ꔿö > 80 EA 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000238023072D0, 16 bytes long.
Data: <@锿ö > 40 E9 94 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000023802306E20, 16 bytes long.
Data: <øW‘¿ö > F8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000238023076E0, 16 bytes long.
Data: <ØW‘¿ö > D8 57 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000023802306E70, 16 bytes long.
Data: <P ‘¿ö > 50 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000238023073C0, 16 bytes long.
Data: <0 ‘¿ö > 30 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000023802307410, 16 bytes long.
Data: <à ‘¿ö > E0 02 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000023802307B90, 16 bytes long.
Data: < ‘¿ö > 10 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000023802306DD0, 16 bytes long.
Data: <p ‘¿ö > 70 04 91 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000023802307690, 16 bytes long.
Data: < À¿ö > 18 C0 8F BF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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