Task 38683928
| Name | test_967-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND6457_0 |
| Workunit | 31625464 |
| Created | 27 Oct 2026, 13:56:44 UTC |
| Sent | 27 Oct 2026, 13:56:47 UTC |
| Report deadline | 1 Nov 2026, 13:56:47 UTC |
| Received | 27 Oct 2026, 16:21:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 0 min 6 sec |
| CPU time | 57 min 51 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 | 747.70 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>
16:21:34 (21640): wrapper (7.9.26016): starting
16:21:34 (21640): 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
16:21:37 (21640): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:21:37 (21640): 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\13\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\13\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
17:19:59 (21640): C:/Windows/system32/cmd.exe exited; CPU time 3471.390625
17:19:59 (21640): 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: 66273459 bytes.
Dumping objects ->
{3835893} normal block at 0x000001D33B875DA0, 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 0x000001D33B875D30, 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 0x000001D33B875CC0, 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 0x000001D33B875C50, 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 0x000001D33B8757F0, 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 0x000001D33D55A490, 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 0x000001D33B86E670, 8 bytes long.
Data: < Ò;Ó > 00 00 D2 3B D3 01 00 00
{3833957} normal block at 0x000001D33B86E620, 8 bytes long.
Data: < ‰;Ó > 90 99 89 3B D3 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D33B870230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D33B8656C0, 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 0x000001D33B874640, 16 bytes long.
Data: <¨V‡;Ó > A8 56 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D33B874550, 16 bytes long.
Data: < V‡;Ó > 80 56 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D33B86F0A0, 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 0x000001D33B874E60, 16 bytes long.
Data: <XV‡;Ó > 58 56 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D33B874E10, 16 bytes long.
Data: <0V‡;Ó > 30 56 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D33B8750E0, 16 bytes long.
Data: < V‡;Ó > 08 56 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D33B874D70, 16 bytes long.
Data: <àU‡;Ó > E0 55 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D33B875940, 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 0x000001D33B874A00, 16 bytes long.
Data: <¸‡†;Ó > B8 87 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D33B86EE60, 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 0x000001D33B874960, 16 bytes long.
Data: < ‡†;Ó > 90 87 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D33B874910, 16 bytes long.
Data: <h‡†;Ó > 68 87 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D33B8745F0, 16 bytes long.
Data: <@‡†;Ó > 40 87 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D33B874500, 16 bytes long.
Data: < ‡†;Ó > 18 87 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D33B8745A0, 16 bytes long.
Data: <ð††;Ó > F0 86 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D33B874C80, 16 bytes long.
Data: <Ȇ†;Ó > C8 86 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D33B86F640, 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 0x000001D33B8744B0, 16 bytes long.
Data: < ††;Ó > A0 86 86 3B D3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D33B8686A0, 320 bytes long.
Data: <°D‡;Ó @ö†;Ó > B0 44 87 3B D3 01 00 00 40 F6 86 3B D3 01 00 00
{274} normal block at 0x000001D33B875180, 16 bytes long.
Data: <ÀU‡;Ó > C0 55 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D33B874460, 16 bytes long.
Data: < U‡;Ó > 98 55 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D33B86F8E0, 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 0x000001D33B874FA0, 16 bytes long.
Data: <pU‡;Ó > 70 55 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D33B86F820, 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 0x000001D33B874FF0, 16 bytes long.
Data: <¸T‡;Ó > B8 54 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D33B874D20, 16 bytes long.
Data: < T‡;Ó > 90 54 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D33B875270, 16 bytes long.
Data: <hT‡;Ó > 68 54 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D33B8752C0, 16 bytes long.
Data: <@T‡;Ó > 40 54 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D33B874780, 16 bytes long.
Data: < T‡;Ó > 18 54 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D33B8748C0, 16 bytes long.
Data: <ðS‡;Ó > F0 53 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D33B874410, 16 bytes long.
Data: < í…;Ó > A0 ED 85 3B D3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D33B85EDA0, 40 bytes long.
Data: < D‡;Ó ¤U=Ó > 10 44 87 3B D3 01 00 00 90 A4 55 3D D3 01 00 00
{260} normal block at 0x000001D33B874870, 16 bytes long.
Data: <ÐS‡;Ó > D0 53 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D33B874820, 16 bytes long.
Data: <¨S‡;Ó > A8 53 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D33B86F760, 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 0x000001D33B874DC0, 16 bytes long.
Data: < S‡;Ó > 80 53 87 3B D3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D33B875380, 992 bytes long.
Data: <ÀM‡;Ó `÷†;Ó > C0 4D 87 3B D3 01 00 00 60 F7 86 3B D3 01 00 00
{92} normal block at 0x000001D33B86F940, 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 0x000001D33B86E4E0, 16 bytes long.
Data: <ÀÆ…;Ó > C0 C6 85 3B D3 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D33B85C6C0, 40 bytes long.
Data: <àä†;Ó @ù†;Ó > E0 E4 86 3B D3 01 00 00 40 F9 86 3B D3 01 00 00
{69} normal block at 0x000001D33B86E120, 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 0x000001D33B86E800, 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 0x000001D33B86E5D0, 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 0x000001D33B86E2B0, 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 0x000001D33B86E7B0, 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 0x000001D33B86E760, 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 0x000001D33B86E580, 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 0x000001D33B86E8F0, 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 0x000001D33B86E3F0, 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 0x000001D33B86E210, 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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