Task 38683657
| Name | test_30-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND0637_0 |
| Workunit | 31625208 |
| Created | 27 Oct 2026, 12:43:43 UTC |
| Sent | 27 Oct 2026, 12:43:55 UTC |
| Report deadline | 1 Nov 2026, 12:43:55 UTC |
| Received | 27 Oct 2026, 15:20:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 1 min 27 sec |
| CPU time | 58 min 50 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 | 741.00 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>
15:20:13 (22160): wrapper (7.9.26016): starting
15:20:13 (22160): 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
15:20:15 (22160): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:20:15 (22160): 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
16:19:43 (22160): C:/Windows/system32/cmd.exe exited; CPU time 3530.609375
16:19:43 (22160): 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: 68140759 bytes.
Dumping objects ->
{3835893} normal block at 0x000001FE292C77C0, 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 0x000001FE292C7B40, 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 0x000001FE292C7670, 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 0x000001FE292C7750, 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 0x000001FE292C7600, 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 0x000001FE2AF37170, 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 0x000001FE292BEEB0, 8 bytes long.
Data: < ')þ > 00 00 27 29 FE 01 00 00
{3833957} normal block at 0x000001FE292BE640, 8 bytes long.
Data: <pãä*þ > 70 E3 E4 2A FE 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FE292C0BB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001FE292B5380, 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 0x000001FE292C6850, 16 bytes long.
Data: <hs,)þ > 68 73 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FE292C6D00, 16 bytes long.
Data: <@s,)þ > 40 73 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001FE292BF240, 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 0x000001FE292C60D0, 16 bytes long.
Data: < s,)þ > 18 73 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FE292C6260, 16 bytes long.
Data: <ðr,)þ > F0 72 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FE292C6800, 16 bytes long.
Data: <Èr,)þ > C8 72 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FE292C67B0, 16 bytes long.
Data: < r,)þ > A0 72 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001FE292C7BB0, 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 0x000001FE292C6C10, 16 bytes long.
Data: <(ó*)þ > 28 F3 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001FE292BFBA0, 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 0x000001FE292C6B70, 16 bytes long.
Data: < ó*)þ > 00 F3 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FE292C6CB0, 16 bytes long.
Data: <Øò*)þ > D8 F2 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FE292C6F30, 16 bytes long.
Data: <°ò*)þ > B0 F2 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FE292C6490, 16 bytes long.
Data: < ò*)þ > 88 F2 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FE292C6A30, 16 bytes long.
Data: <`ò*)þ > 60 F2 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FE292C6710, 16 bytes long.
Data: <8ò*)þ > 38 F2 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001FE292BFB40, 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 0x000001FE292C6170, 16 bytes long.
Data: < ò*)þ > 10 F2 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001FE292AF210, 320 bytes long.
Data: <pa,)þ @û+)þ > 70 61 2C 29 FE 01 00 00 40 FB 2B 29 FE 01 00 00
{274} normal block at 0x000001FE292C66C0, 16 bytes long.
Data: < r,)þ > 80 72 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FE292C6DF0, 16 bytes long.
Data: <Xr,)þ > 58 72 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001FE292BFEA0, 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 0x000001FE292C6760, 16 bytes long.
Data: <0r,)þ > 30 72 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001FE292BFA80, 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 0x000001FE292C6B20, 16 bytes long.
Data: <xq,)þ > 78 71 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FE292C62B0, 16 bytes long.
Data: <Pq,)þ > 50 71 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FE292C6EE0, 16 bytes long.
Data: <(q,)þ > 28 71 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FE292C6E90, 16 bytes long.
Data: < q,)þ > 00 71 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FE292C6940, 16 bytes long.
Data: <Øp,)þ > D8 70 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001FE292C68A0, 16 bytes long.
Data: <°p,)þ > B0 70 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FE292C6BC0, 16 bytes long.
Data: <àã*)þ > E0 E3 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001FE292AE3E0, 40 bytes long.
Data: <Àk,)þ pqó*þ > C0 6B 2C 29 FE 01 00 00 70 71 F3 2A FE 01 00 00
{260} normal block at 0x000001FE292C6670, 16 bytes long.
Data: < p,)þ > 90 70 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FE292C6AD0, 16 bytes long.
Data: <hp,)þ > 68 70 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001FE292BF120, 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 0x000001FE292C6120, 16 bytes long.
Data: <@p,)þ > 40 70 2C 29 FE 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001FE292C7040, 992 bytes long.
Data: < a,)þ ñ+)þ > 20 61 2C 29 FE 01 00 00 20 F1 2B 29 FE 01 00 00
{92} normal block at 0x000001FE292BFE40, 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 0x000001FE292BE5F0, 16 bytes long.
Data: <ðÜ*)þ > F0 DC 2A 29 FE 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001FE292ADCF0, 40 bytes long.
Data: <ðå+)þ @þ+)þ > F0 E5 2B 29 FE 01 00 00 40 FE 2B 29 FE 01 00 00
{69} normal block at 0x000001FE292BEA00, 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 0x000001FE292BEC30, 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 0x000001FE292BEAA0, 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 0x000001FE292BE500, 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 0x000001FE292BE9B0, 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 0x000001FE292BE0A0, 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 0x000001FE292BE050, 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 0x000001FE292BE910, 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 0x000001FE292BE550, 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 0x000001FE292BECD0, 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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