Task 38682471
| Name | test_289-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND2745_1 |
| Workunit | 31623988 |
| Created | 27 Oct 2026, 7:52:59 UTC |
| Sent | 27 Oct 2026, 7:53:32 UTC |
| Report deadline | 1 Nov 2026, 7:53:32 UTC |
| Received | 27 Oct 2026, 8:39:58 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649098 |
| Run time | 23 min 22 sec |
| CPU time | 20 min 24 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 91,065.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 748.87 MB |
| Peak swap size | 19.21 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:17:04 (31404): wrapper (7.9.26016): starting
09:17:04 (31404): 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
09:17:05 (31404): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:17:05 (31404): 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
09:39:41 (31404): C:/Windows/system32/cmd.exe exited; CPU time 1224.187500
09:39:41 (31404): 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: 24410327 bytes.
Dumping objects ->
{3835248} normal block at 0x000001D31BCE81B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000001D319C44A10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000001D319C44930, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x000001D319C44A80, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000001D319C448C0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x000001D31BC96FC0, 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) : {3835160} normal block at 0x000001D319C3F450, 8 bytes long.
Data: < # Ó > 00 00 23 1A D3 01 00 00
{3833957} normal block at 0x000001D319C3F400, 8 bytes long.
Data: <pßÂ Ó > 70 DF C2 19 D3 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001D319C40050, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D319C35800, 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 0x000001D319C45D10, 16 bytes long.
Data: < PÄ Ó > 88 50 C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D319C45EF0, 16 bytes long.
Data: <`PÄ Ó > 60 50 C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D319C3E0F0, 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 0x000001D319C45310, 16 bytes long.
Data: <8PÄ Ó > 38 50 C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D319C45590, 16 bytes long.
Data: < PÄ Ó > 10 50 C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D319C45540, 16 bytes long.
Data: <èOÄ Ó > E8 4F C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D319C454A0, 16 bytes long.
Data: <ÀOÄ Ó > C0 4F C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D319C44540, 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 0x000001D319C45450, 16 bytes long.
Data: <Ø‡Ã Ó > D8 87 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D319C3E990, 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 0x000001D319C45B30, 16 bytes long.
Data: <°‡Ã Ó > B0 87 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D319C45BD0, 16 bytes long.
Data: < ‡Ã Ó > 88 87 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D319C457C0, 16 bytes long.
Data: <`‡Ã Ó > 60 87 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D319C45DB0, 16 bytes long.
Data: <8‡Ã Ó > 38 87 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001D319C45F90, 16 bytes long.
Data: < ‡Ã Ó > 10 87 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D319C45A90, 16 bytes long.
Data: <è†Ã Ó > E8 86 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D319C3E750, 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 0x000001D319C45FE0, 16 bytes long.
Data: <À†Ã Ó > C0 86 C3 19 D3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D319C386C0, 320 bytes long.
Data: <à_Ä Ó PçÃ Ó > E0 5F C4 19 D3 01 00 00 50 E7 C3 19 D3 01 00 00
{274} normal block at 0x000001D319C454F0, 16 bytes long.
Data: < OÄ Ó > A0 4F C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D319C45E00, 16 bytes long.
Data: <xOÄ Ó > 78 4F C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D319C3EE70, 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 0x000001D319C46030, 16 bytes long.
Data: <POÄ Ó > 50 4F C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D319C3E8D0, 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 0x000001D319C46080, 16 bytes long.
Data: < NÄ Ó > 98 4E C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001D319C45B80, 16 bytes long.
Data: <pNÄ Ó > 70 4E C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D319C45860, 16 bytes long.
Data: <HNÄ Ó > 48 4E C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D319C45C70, 16 bytes long.
Data: < NÄ Ó > 20 4E C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001D319C455E0, 16 bytes long.
Data: <øMÄ Ó > F8 4D C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D319C3FE50, 16 bytes long.
Data: <ÐMÄ Ó > D0 4D C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001D319C3FA90, 16 bytes long.
Data: <àGÄ Ó > E0 47 C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D319C447E0, 40 bytes long.
Data: < úÃ Ó ÀoÉ Ó > 90 FA C3 19 D3 01 00 00 C0 6F C9 1B D3 01 00 00
{260} normal block at 0x000001D319C3FE00, 16 bytes long.
Data: <°MÄ Ó > B0 4D C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001D319C3F7C0, 16 bytes long.
Data: < MÄ Ó > 88 4D C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001D319C3E030, 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 0x000001D319C3FA40, 16 bytes long.
Data: <`MÄ Ó > 60 4D C4 19 D3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001D319C44D60, 992 bytes long.
Data: <@úÃ Ó 0àÃ Ó > 40 FA C3 19 D3 01 00 00 30 E0 C3 19 D3 01 00 00
{92} normal block at 0x000001D319C3EA50, 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 0x000001D319C3F950, 16 bytes long.
Data: < îÂ Ó > 80 EE C2 19 D3 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001D319C2EE80, 40 bytes long.
Data: <PùÃ Ó PêÃ Ó > 50 F9 C3 19 D3 01 00 00 50 EA C3 19 D3 01 00 00
{69} normal block at 0x000001D319C3F1D0, 16 bytes long.
Data: < ê ö > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001D319C3FB80, 16 bytes long.
Data: <@é ö > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001D319C3F0E0, 16 bytes long.
Data: <øWŠ ö > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001D319C3FEA0, 16 bytes long.
Data: <ØWŠ ö > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001D319C3F4F0, 16 bytes long.
Data: <P Š ö > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001D319C3FF40, 16 bytes long.
Data: <0 Š ö > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001D319C3FB30, 16 bytes long.
Data: <à Š ö > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001D319C3F180, 16 bytes long.
Data: < Š ö > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001D319C3F2C0, 16 bytes long.
Data: <p Š ö > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001D319C3FCC0, 16 bytes long.
Data: < À ö > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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