Task 38655300
| Name | test_305-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND5899_2 |
| Workunit | 31597897 |
| Created | 24 Oct 2026, 9:30:50 UTC |
| Sent | 24 Oct 2026, 9:31:03 UTC |
| Report deadline | 29 Oct 2026, 9:31:03 UTC |
| Received | 24 Oct 2026, 10:09:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 156955 |
| Run time | 37 min 18 sec |
| CPU time | 32 min 47 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 | 709.39 MB |
| Peak swap size | 8.47 GB |
| Peak disk usage | 3.49 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
11:35:04 (18276): wrapper (7.9.26016): starting
11:35:04 (18276): 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
11:35:10 (18276): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:35:10 (18276): 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\19\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\19\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
12:09:00 (18276): C:/Windows/system32/cmd.exe exited; CPU time 1967.921875
12:09:00 (18276): 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: 43803385 bytes.
Dumping objects ->
{3835307} normal block at 0x000001ED3DE46A50, 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 0x000001ED3FA93BF0, 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 0x000001ED3FA944F0, 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 0x000001ED3FA93650, 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 0x000001ED3FA94A30, 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 0x000001ED3DE47540, 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 0x000001ED3FA5E470, 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 0x000001ED3DE17A60, 8 bytes long.
Data: < Û=í > 00 00 DB 3D ED 01 00 00
{3834570} normal block at 0x000001ED3FA5E3C0, 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 0x000001ED3DE16FC0, 8 bytes long.
Data: < 4ª?í > 00 34 AA 3F ED 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001ED3DE21CA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ED3DE0C160, 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 0x000001ED3DE23B40, 16 bytes long.
Data: <xEâ=í > 78 45 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ED3DE23AF0, 16 bytes long.
Data: <PEâ=í > 50 45 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ED3DE1CAC0, 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 0x000001ED3DE23AA0, 16 bytes long.
Data: <(Eâ=í > 28 45 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ED3DE23A00, 16 bytes long.
Data: < Eâ=í > 00 45 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ED3DE23960, 16 bytes long.
Data: <ØDâ=í > D8 44 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ED3DE23910, 16 bytes long.
Data: <°Dâ=í > B0 44 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001ED3DE1E100, 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 0x000001ED3DE23870, 16 bytes long.
Data: <x+â=í > 78 2B E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ED3DE1BF20, 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 0x000001ED3DE23820, 16 bytes long.
Data: <P+â=í > 50 2B E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ED3DE23500, 16 bytes long.
Data: <(+â=í > 28 2B E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ED3DE22D80, 16 bytes long.
Data: < +â=í > 00 2B E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ED3DE23690, 16 bytes long.
Data: <Ø*â=í > D8 2A E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ED3DE23320, 16 bytes long.
Data: <°*â=í > B0 2A E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ED3DE23BE0, 16 bytes long.
Data: < *â=í > 88 2A E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ED3DE1C220, 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 0x000001ED3DE239B0, 16 bytes long.
Data: <`*â=í > 60 2A E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ED3DE22A60, 320 bytes long.
Data: <°9â=í Âá=í > B0 39 E2 3D ED 01 00 00 20 C2 E1 3D ED 01 00 00
{274} normal block at 0x000001ED3DE22FB0, 16 bytes long.
Data: < Dâ=í > 90 44 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ED3DE232D0, 16 bytes long.
Data: <hDâ=í > 68 44 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001ED3DE1C9A0, 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 0x000001ED3DE22CE0, 16 bytes long.
Data: <@Dâ=í > 40 44 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ED3DE1BC20, 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 0x000001ED3DE237D0, 16 bytes long.
Data: < Câ=í > 88 43 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ED3DE23280, 16 bytes long.
Data: <`Câ=í > 60 43 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ED3DE23140, 16 bytes long.
Data: <8Câ=í > 38 43 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ED3DE233C0, 16 bytes long.
Data: < Câ=í > 10 43 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ED3DE23730, 16 bytes long.
Data: <èBâ=í > E8 42 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ED3DE236E0, 16 bytes long.
Data: <ÀBâ=í > C0 42 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ED3DE231E0, 16 bytes long.
Data: <°ßá=í > B0 DF E1 3D ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ED3DE1DFB0, 40 bytes long.
Data: <à1â=í @uä=í > E0 31 E2 3D ED 01 00 00 40 75 E4 3D ED 01 00 00
{260} normal block at 0x000001ED3DE235F0, 16 bytes long.
Data: < Bâ=í > A0 42 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ED3DE23000, 16 bytes long.
Data: <xBâ=í > 78 42 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ED3DE1CA00, 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 0x000001ED3DE23550, 16 bytes long.
Data: <PBâ=í > 50 42 E2 3D ED 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001ED3DE24250, 992 bytes long.
Data: <P5â=í Êá=í > 50 35 E2 3D ED 01 00 00 00 CA E1 3D ED 01 00 00
{92} normal block at 0x000001ED3DE1C160, 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 0x000001ED3DE17560, 16 bytes long.
Data: < àá=í > 90 E0 E1 3D ED 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001ED3DE1E090, 40 bytes long.
Data: <`uá=í `Áá=í > 60 75 E1 3D ED 01 00 00 60 C1 E1 3D ED 01 00 00
{69} normal block at 0x000001ED3DE17150, 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 0x000001ED3DE16E80, 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 0x000001ED3DE179C0, 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 0x000001ED3DE17240, 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 0x000001ED3DE173D0, 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 0x000001ED3DE16F70, 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 0x000001ED3DE171F0, 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 0x000001ED3DE17100, 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 0x000001ED3DE172E0, 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 0x000001ED3DE17060, 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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