Task 38687068
| Name | test_179-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6332_0 |
| Workunit | 31628474 |
| Created | 28 Oct 2026, 5:50:20 UTC |
| Sent | 28 Oct 2026, 5:50:27 UTC |
| Report deadline | 2 Nov 2026, 5:50:27 UTC |
| Received | 28 Oct 2026, 8:26:10 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 0 min 11 sec |
| CPU time | 58 min 4 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 | 741.99 MB |
| Peak swap size | 6.91 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:26:34 (7336): wrapper (7.9.26016): starting
08:26:34 (7336): 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
08:26:36 (7336): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:26:36 (7336): 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\9\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\9\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
09:25:04 (7336): C:/Windows/system32/cmd.exe exited; CPU time 3484.390625
09:25:04 (7336): 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: 63271339 bytes.
Dumping objects ->
{3835893} normal block at 0x0000023A97DB5CF0, 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 0x0000023A97DB5C80, 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 0x0000023A97DB5B30, 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 0x0000023A97DB5C10, 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 0x0000023A97DB5BA0, 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 0x0000023A99A9B140, 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 0x0000023A97DAE6C0, 8 bytes long.
Data: < Ô—: > 00 00 D4 97 3A 02 00 00
{3833957} normal block at 0x0000023A97DAE7B0, 8 bytes long.
Data: <°‰® : > B0 89 AE 99 3A 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023A97DB0690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023A97DA56D0, 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 0x0000023A97DB4990, 16 bytes long.
Data: <ØVÛ—: > D8 56 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023A97DB4A80, 16 bytes long.
Data: <°VÛ—: > B0 56 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023A97DAFBE0, 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 0x0000023A97DB4EE0, 16 bytes long.
Data: < VÛ—: > 88 56 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023A97DB51B0, 16 bytes long.
Data: <`VÛ—: > 60 56 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000023A97DB48F0, 16 bytes long.
Data: <8VÛ—: > 38 56 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023A97DB4620, 16 bytes long.
Data: < VÛ—: > 10 56 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023A97DB5E40, 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 0x0000023A97DB5110, 16 bytes long.
Data: < óÙ—: > 18 F3 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023A97DAF700, 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 0x0000023A97DB4E90, 16 bytes long.
Data: <ðòÙ—: > F0 F2 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023A97DB5020, 16 bytes long.
Data: <ÈòÙ—: > C8 F2 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023A97DB4710, 16 bytes long.
Data: < òÙ—: > A0 F2 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023A97DB4940, 16 bytes long.
Data: <xòÙ—: > 78 F2 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023A97DB4800, 16 bytes long.
Data: <PòÙ—: > 50 F2 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000023A97DB4FD0, 16 bytes long.
Data: <(òÙ—: > 28 F2 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023A97DAF340, 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 0x0000023A97DB4530, 16 bytes long.
Data: < òÙ—: > 00 F2 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023A97D9F200, 320 bytes long.
Data: <0EÛ—: @óÚ—: > 30 45 DB 97 3A 02 00 00 40 F3 DA 97 3A 02 00 00
{274} normal block at 0x0000023A97DB4D00, 16 bytes long.
Data: <ðUÛ—: > F0 55 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023A97DB5200, 16 bytes long.
Data: <ÈUÛ—: > C8 55 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023A97DAF2E0, 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 0x0000023A97DB50C0, 16 bytes long.
Data: < UÛ—: > A0 55 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000023A97DAF9A0, 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 0x0000023A97DB4D50, 16 bytes long.
Data: <èTÛ—: > E8 54 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000023A97DB44E0, 16 bytes long.
Data: <ÀTÛ—: > C0 54 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023A97DB48A0, 16 bytes long.
Data: < TÛ—: > 98 54 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023A97DB4850, 16 bytes long.
Data: <pTÛ—: > 70 54 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000023A97DB47B0, 16 bytes long.
Data: <HTÛ—: > 48 54 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023A97DB5340, 16 bytes long.
Data: < TÛ—: > 20 54 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023A97DB5070, 16 bytes long.
Data: <`ÁÙ—: > 60 C1 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023A97D9C160, 40 bytes long.
Data: <pPÛ—: @±© : > 70 50 DB 97 3A 02 00 00 40 B1 A9 99 3A 02 00 00
{260} normal block at 0x0000023A97DB4E40, 16 bytes long.
Data: < TÛ—: > 00 54 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023A97DB4440, 16 bytes long.
Data: <ØSÛ—: > D8 53 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023A97DAF820, 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 0x0000023A97DB4C60, 16 bytes long.
Data: <°SÛ—: > B0 53 DB 97 3A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023A97DB53B0, 992 bytes long.
Data: <`LÛ—: øÚ—: > 60 4C DB 97 3A 02 00 00 20 F8 DA 97 3A 02 00 00
{92} normal block at 0x0000023A97DAF520, 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 0x0000023A97DAE2B0, 16 bytes long.
Data: <0ÇÙ—: > 30 C7 D9 97 3A 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000023A97D9C730, 40 bytes long.
Data: <°âÚ—: õÚ—: > B0 E2 DA 97 3A 02 00 00 20 F5 DA 97 3A 02 00 00
{69} normal block at 0x0000023A97DAE5D0, 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 0x0000023A97DAE760, 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 0x0000023A97DAE8A0, 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 0x0000023A97DAE350, 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 0x0000023A97DAE0D0, 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 0x0000023A97DAE530, 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 0x0000023A97DAE030, 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 0x0000023A97DAE4E0, 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 0x0000023A97DAE260, 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 0x0000023A97DAEF80, 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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