Task 38696531
| Name | test_10-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND6290_1 |
| Workunit | 31636954 |
| Created | 1 Nov 2026, 1:08:56 UTC |
| Sent | 1 Nov 2026, 1:09:00 UTC |
| Report deadline | 6 Nov 2026, 1:09:00 UTC |
| Received | 1 Nov 2026, 7:09:23 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 400693 |
| Run time | 1 hours 36 min 11 sec |
| CPU time | 1 hours 27 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,172.19 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 657.38 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 3.27 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
06:35:40 (6976): wrapper (7.9.26016): starting
06:35:40 (6976): 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
06:35:44 (6976): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:35:44 (6976): 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\14\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\14\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
08:08:14 (6976): C:/Windows/system32/cmd.exe exited; CPU time 5264.484375
08:08:14 (6976): called boinc_finish(0)
0 bytes in 0 Free Blocks.
546 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: 61804971 bytes.
Dumping objects ->
{3835132} normal block at 0x0000025C33BF1600, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835121} normal block at 0x0000025C33BF0BF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835110} normal block at 0x0000025C33BF1750, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835099} normal block at 0x0000025C33BF1360, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835088} normal block at 0x0000025C33BF12F0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835057} normal block at 0x0000025C33CE4510, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835046} normal block at 0x0000025C320FCE30, 145 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) : {3835043} normal block at 0x0000025C320A6A60, 8 bytes long.
Data: < 2\ > 00 00 08 32 5C 02 00 00
{3834495} normal block at 0x0000025C320FCD60, 145 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x0000025C320A75A0, 8 bytes long.
Data: <P"Ô3\ > 50 22 D4 33 5C 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000025C320B1890, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025C320AD190, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000025C320B2FB0, 16 bytes long.
Data: <È> 2\ > C8 3E 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025C320B2C90, 16 bytes long.
Data: < > 2\ > A0 3E 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025C320ABAF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000025C320B2C40, 16 bytes long.
Data: <x> 2\ > 78 3E 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025C320B2BF0, 16 bytes long.
Data: <P> 2\ > 50 3E 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025C320B36E0, 16 bytes long.
Data: <(> 2\ > 28 3E 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025C320B2A10, 16 bytes long.
Data: < > 2\ > 00 3E 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025C320AD630, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000025C320B2DD0, 16 bytes long.
Data: <8¿ 2\ > 38 BF 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025C320AC570, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000025C320B35F0, 16 bytes long.
Data: < ¿ 2\ > 10 BF 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025C320B2BA0, 16 bytes long.
Data: <è¾ 2\ > E8 BE 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025C320B3690, 16 bytes long.
Data: <À¾ 2\ > C0 BE 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025C320B2D80, 16 bytes long.
Data: < ¾ 2\ > 98 BE 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025C320B2B50, 16 bytes long.
Data: <p¾ 2\ > 70 BE 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025C320B3640, 16 bytes long.
Data: <H¾ 2\ > 48 BE 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025C320AB9D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000025C320B33C0, 16 bytes long.
Data: < ¾ 2\ > 20 BE 09 32 5C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025C3209BE20, 320 bytes long.
Data: <À3 2\ й 2\ > C0 33 0B 32 5C 02 00 00 D0 B9 0A 32 5C 02 00 00
{273} normal block at 0x0000025C320B3410, 16 bytes long.
Data: <à= 2\ > E0 3D 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025C320B3140, 16 bytes long.
Data: <¸= 2\ > B8 3D 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025C320ABA90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000025C320B2B00, 16 bytes long.
Data: < = 2\ > 90 3D 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025C320AB8B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000025C320B3370, 16 bytes long.
Data: <Ø< 2\ > D8 3C 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025C320B31E0, 16 bytes long.
Data: <°< 2\ > B0 3C 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025C320B2AB0, 16 bytes long.
Data: < < 2\ > 88 3C 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025C320B35A0, 16 bytes long.
Data: <`< 2\ > 60 3C 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000025C320B3050, 16 bytes long.
Data: <8< 2\ > 38 3C 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025C320B2920, 16 bytes long.
Data: < < 2\ > 10 3C 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000025C320B2880, 16 bytes long.
Data: <ð× 2\ > F0 D7 0A 32 5C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025C320AD7F0, 40 bytes long.
Data: < ( 2\ EÎ3\ > 80 28 0B 32 5C 02 00 00 10 45 CE 33 5C 02 00 00
{259} normal block at 0x0000025C320B2830, 16 bytes long.
Data: <ð; 2\ > F0 3B 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000025C320B3730, 16 bytes long.
Data: <È; 2\ > C8 3B 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025C320ABD90, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000025C320B2970, 16 bytes long.
Data: < ; 2\ > A0 3B 0B 32 5C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000025C320B3BA0, 992 bytes long.
Data: <p) 2\ ½ 2\ > 70 29 0B 32 5C 02 00 00 90 BD 0A 32 5C 02 00 00
{91} normal block at 0x0000025C320AC030, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000025C320A74B0, 16 bytes long.
Data: <ÀÕ 2\ > C0 D5 0A 32 5C 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000025C320AD5C0, 40 bytes long.
Data: <°t 2\ 0À 2\ > B0 74 0A 32 5C 02 00 00 30 C0 0A 32 5C 02 00 00
{68} normal block at 0x0000025C320A7460, 16 bytes long.
Data: < ꦲ÷ > 80 EA A6 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025C320A70A0, 16 bytes long.
Data: <@馲÷ > 40 E9 A6 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025C320A7500, 16 bytes long.
Data: <øW£²÷ > F8 57 A3 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025C320A7000, 16 bytes long.
Data: <ØW£²÷ > D8 57 A3 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025C320A70F0, 16 bytes long.
Data: <P £²÷ > 50 04 A3 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025C320A7050, 16 bytes long.
Data: <0 £²÷ > 30 04 A3 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025C320A6D80, 16 bytes long.
Data: <à £²÷ > E0 02 A3 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025C320A6A10, 16 bytes long.
Data: < £²÷ > 10 04 A3 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000025C320A68D0, 16 bytes long.
Data: <p £²÷ > 70 04 A3 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000025C320A7550, 16 bytes long.
Data: < À¡²÷ > 18 C0 A1 B2 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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