Task 38683858
| Name | test_453-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3777_0 |
| Workunit | 31625397 |
| Created | 27 Oct 2026, 13:39:17 UTC |
| Sent | 27 Oct 2026, 13:39:21 UTC |
| Report deadline | 1 Nov 2026, 13:39:21 UTC |
| Received | 27 Oct 2026, 20:09:09 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 400693 |
| Run time | 1 hours 36 min 34 sec |
| CPU time | 1 hours 28 min 40 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 | 641.69 MB |
| Peak swap size | 3.70 GB |
| Peak disk usage | 4.04 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:34:56 (8832): wrapper (7.9.26016): starting
19:34:56 (8832): 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
19:35:01 (8832): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:35:01 (8832): 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
21:08:02 (8832): C:/Windows/system32/cmd.exe exited; CPU time 5320.781250
21:08:02 (8832): 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: 62034431 bytes.
Dumping objects ->
{3835132} normal block at 0x0000027CE3560AA0, 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 0x0000027CE3560A30, 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 0x0000027CE35617C0, 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 0x0000027CE3560F70, 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 0x0000027CE3560BF0, 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 0x0000027CE3653310, 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 0x0000027CE1A2C7B0, 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 0x0000027CE19D7730, 8 bytes long.
Data: < <ã| > 00 00 3C E3 7C 02 00 00
{3834495} normal block at 0x0000027CE1A2C880, 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 0x0000027CE19D7230, 8 bytes long.
Data: <P"kã| > 50 22 6B E3 7C 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000027CE19E1890, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027CE19DD190, 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 0x0000027CE19E3050, 16 bytes long.
Data: <È>žá| > C8 3E 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027CE19E28D0, 16 bytes long.
Data: < >žá| > A0 3E 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027CE19DB7F0, 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 0x0000027CE19E3000, 16 bytes long.
Data: <x>žá| > 78 3E 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027CE19E2FB0, 16 bytes long.
Data: <P>žá| > 50 3E 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000027CE19E2F60, 16 bytes long.
Data: <(>žá| > 28 3E 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027CE19E2BA0, 16 bytes long.
Data: < >žá| > 00 3E 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000027CE19DDC50, 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 0x0000027CE19E3370, 16 bytes long.
Data: <8¿œá| > 38 BF 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027CE19DC4B0, 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 0x0000027CE19E2B00, 16 bytes long.
Data: < ¿œá| > 10 BF 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027CE19E36E0, 16 bytes long.
Data: <辜á| > E8 BE 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027CE19E2AB0, 16 bytes long.
Data: <À¾œá| > C0 BE 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027CE19E3190, 16 bytes long.
Data: < ¾œá| > 98 BE 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000027CE19E2920, 16 bytes long.
Data: <p¾œá| > 70 BE 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027CE19E3320, 16 bytes long.
Data: <H¾œá| > 48 BE 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000027CE19DBF70, 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 0x0000027CE19E2F10, 16 bytes long.
Data: < ¾œá| > 20 BE 9C E1 7C 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027CE19CBE20, 320 bytes long.
Data: < /žá| p¿ á| > 10 2F 9E E1 7C 02 00 00 70 BF 9D E1 7C 02 00 00
{273} normal block at 0x0000027CE19E30F0, 16 bytes long.
Data: <à=žá| > E0 3D 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027CE19E2DD0, 16 bytes long.
Data: <¸=žá| > B8 3D 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000027CE19DBC10, 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 0x0000027CE19E3550, 16 bytes long.
Data: < =žá| > 90 3D 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027CE19DBA90, 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 0x0000027CE19E2EC0, 16 bytes long.
Data: <Ø<žá| > D8 3C 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027CE19E29C0, 16 bytes long.
Data: <°<žá| > B0 3C 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027CE19E34B0, 16 bytes long.
Data: < <žá| > 88 3C 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000027CE19E32D0, 16 bytes long.
Data: <`<žá| > 60 3C 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027CE19E2A60, 16 bytes long.
Data: <8<žá| > 38 3C 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027CE19E2E20, 16 bytes long.
Data: < <žá| > 10 3C 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027CE19E3280, 16 bytes long.
Data: <ð× á| > F0 D7 9D E1 7C 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027CE19DD7F0, 40 bytes long.
Data: < 2žá| 3eã| > 80 32 9E E1 7C 02 00 00 10 33 65 E3 7C 02 00 00
{259} normal block at 0x0000027CE19E2D80, 16 bytes long.
Data: <ð;žá| > F0 3B 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000027CE19E30A0, 16 bytes long.
Data: <È;žá| > C8 3B 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000027CE19DBE50, 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 0x0000027CE19E2830, 16 bytes long.
Data: < ;žá| > A0 3B 9E E1 7C 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000027CE19E3BA0, 992 bytes long.
Data: <0(žá| P¾ á| > 30 28 9E E1 7C 02 00 00 50 BE 9D E1 7C 02 00 00
{91} normal block at 0x0000027CE19DBBB0, 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 0x0000027CE19D74B0, 16 bytes long.
Data: <àÛ á| > E0 DB 9D E1 7C 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000027CE19DDBE0, 40 bytes long.
Data: <°t á| °» á| > B0 74 9D E1 7C 02 00 00 B0 BB 9D E1 7C 02 00 00
{68} normal block at 0x0000027CE19D69C0, 16 bytes long.
Data: < êJd÷ > 80 EA 4A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027CE19D7410, 16 bytes long.
Data: <@éJd÷ > 40 E9 4A 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027CE19D7000, 16 bytes long.
Data: <øWGd÷ > F8 57 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027CE19D76E0, 16 bytes long.
Data: <ØWGd÷ > D8 57 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027CE19D6970, 16 bytes long.
Data: <P Gd÷ > 50 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027CE19D7500, 16 bytes long.
Data: <0 Gd÷ > 30 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027CE19D6DD0, 16 bytes long.
Data: <à Gd÷ > E0 02 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027CE19D7460, 16 bytes long.
Data: < Gd÷ > 10 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027CE19D75A0, 16 bytes long.
Data: <p Gd÷ > 70 04 47 64 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000027CE19D77D0, 16 bytes long.
Data: < ÀEd÷ > 18 C0 45 64 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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