Task 38673884
| Name | test_523-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5395_1 |
| Workunit | 31615847 |
| Created | 26 Oct 2026, 3:42:19 UTC |
| Sent | 26 Oct 2026, 3:42:25 UTC |
| Report deadline | 31 Oct 2026, 3:42:25 UTC |
| Received | 26 Oct 2026, 5:14:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 0 min 47 sec |
| CPU time | 57 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,168.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.87 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:14:43 (24152): wrapper (7.9.26016): starting
05:14:43 (24152): 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
05:14:45 (24152): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:14:45 (24152): 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\8\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\8\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
06:13:10 (24152): C:/Windows/system32/cmd.exe exited; CPU time 3439.687500
06:13:10 (24152): 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: 68293207 bytes.
Dumping objects ->
{3835893} normal block at 0x000001FC765F5A50, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835882} normal block at 0x000001FC765F5DD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835871} normal block at 0x000001FC765F59E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835860} normal block at 0x000001FC765F5900, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835849} normal block at 0x000001FC765F5820, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835818} normal block at 0x000001FC78215390, 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) : {3835805} normal block at 0x000001FC765EE940, 8 bytes long.
Data: < Wvü > 00 00 57 76 FC 01 00 00
{3833957} normal block at 0x000001FC765EEF30, 8 bytes long.
Data: <À avü > C0 99 61 76 FC 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FC765F0E10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FC765E56D0, 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 0x000001FC765F4760, 16 bytes long.
Data: <ØV_vü > D8 56 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FC765F46C0, 16 bytes long.
Data: <°V_vü > B0 56 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FC765EFD60, 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 0x000001FC765F4670, 16 bytes long.
Data: < V_vü > 88 56 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FC765F44E0, 16 bytes long.
Data: <`V_vü > 60 56 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FC765F4440, 16 bytes long.
Data: <8V_vü > 38 56 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FC765F43F0, 16 bytes long.
Data: < V_vü > 10 56 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FC765F5B30, 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 0x000001FC765F52F0, 16 bytes long.
Data: < ó]vü > 18 F3 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FC765EF940, 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 0x000001FC765F5200, 16 bytes long.
Data: <ðò]vü > F0 F2 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FC765F4490, 16 bytes long.
Data: <Èò]vü > C8 F2 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FC765F5110, 16 bytes long.
Data: < ò]vü > A0 F2 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FC765F4CB0, 16 bytes long.
Data: <xò]vü > 78 F2 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FC765F4D00, 16 bytes long.
Data: <Pò]vü > 50 F2 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FC765F4940, 16 bytes long.
Data: <(ò]vü > 28 F2 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FC765EFD00, 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 0x000001FC765F4B70, 16 bytes long.
Data: < ò]vü > 00 F2 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FC765DF200, 320 bytes long.
Data: <pK_vü ý^vü > 70 4B 5F 76 FC 01 00 00 00 FD 5E 76 FC 01 00 00
{274} normal block at 0x000001FC765F4C60, 16 bytes long.
Data: <ðU_vü > F0 55 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FC765F4A80, 16 bytes long.
Data: <ÈU_vü > C8 55 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FC765EF880, 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 0x000001FC765F50C0, 16 bytes long.
Data: < U_vü > A0 55 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FC765EFA00, 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 0x000001FC765F4F30, 16 bytes long.
Data: <èT_vü > E8 54 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FC765F52A0, 16 bytes long.
Data: <ÀT_vü > C0 54 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FC765F4E40, 16 bytes long.
Data: < T_vü > 98 54 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FC765F4850, 16 bytes long.
Data: <pT_vü > 70 54 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FC765F5160, 16 bytes long.
Data: <HT_vü > 48 54 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FC765F5250, 16 bytes long.
Data: < T_vü > 20 54 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FC765F4E90, 16 bytes long.
Data: <àã]vü > E0 E3 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FC765DE3E0, 40 bytes long.
Data: < N_vü S!xü > 90 4E 5F 76 FC 01 00 00 90 53 21 78 FC 01 00 00
{260} normal block at 0x000001FC765F4620, 16 bytes long.
Data: < T_vü > 00 54 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FC765F5340, 16 bytes long.
Data: <ØS_vü > D8 53 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FC765EF2E0, 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 0x000001FC765F49E0, 16 bytes long.
Data: <°S_vü > B0 53 5F 76 FC 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FC765F53B0, 992 bytes long.
Data: <àI_vü àò^vü > E0 49 5F 76 FC 01 00 00 E0 F2 5E 76 FC 01 00 00
{92} normal block at 0x000001FC765EF9A0, 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 0x000001FC765EEA30, 16 bytes long.
Data: <ðÜ]vü > F0 DC 5D 76 FC 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001FC765DDCF0, 40 bytes long.
Data: <0ê^vü  ù^vü > 30 EA 5E 76 FC 01 00 00 A0 F9 5E 76 FC 01 00 00
{69} normal block at 0x000001FC765EE4E0, 16 bytes long.
Data: < êûý÷ > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FC765EE300, 16 bytes long.
Data: <@éûý÷ > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FC765EE490, 16 bytes long.
Data: <øWøý÷ > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FC765EEBC0, 16 bytes long.
Data: <ØWøý÷ > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FC765EE800, 16 bytes long.
Data: <P øý÷ > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FC765EE080, 16 bytes long.
Data: <0 øý÷ > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FC765EE9E0, 16 bytes long.
Data: <à øý÷ > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FC765EE710, 16 bytes long.
Data: < øý÷ > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FC765EE670, 16 bytes long.
Data: <p øý÷ > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001FC765EEE90, 16 bytes long.
Data: < Àöý÷ > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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