Task 38658250
| Name | test_514-GPUGRID_TEST_ATM_2STEP_20261024-1-2-RND9054_0 |
| Workunit | 31601843 |
| Created | 24 Oct 2026, 12:28:54 UTC |
| Sent | 24 Oct 2026, 12:40:10 UTC |
| Report deadline | 29 Oct 2026, 12:40:10 UTC |
| Received | 24 Oct 2026, 14:03:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 611806 |
| Run time | 51 min 7 sec |
| CPU time | 48 min 38 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 5,030.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 691.70 MB |
| Peak swap size | 5.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:13:07 (26912): wrapper (7.9.26016): starting
08:13:07 (26912): 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
08:13:08 (26912): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:13:08 (26912): 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\8\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\8\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
09:02:55 (26912): C:/Windows/system32/cmd.exe exited; CPU time 2918.828125
09:02:55 (26912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 56438429 bytes.
Dumping objects ->
{3835229} normal block at 0x0000017E847CD450, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x0000017E82AE5270, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835207} normal block at 0x0000017E82AE5190, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835196} normal block at 0x0000017E82AE5040, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835185} normal block at 0x0000017E82AE4FD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835154} normal block at 0x0000017E84816730, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835143} normal block at 0x0000017E8482F030, 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) : {3835140} normal block at 0x0000017E82ADF840, 8 bytes long.
Data: < ƒ~ > 00 00 00 83 7E 01 00 00
{3834541} normal block at 0x0000017E8482F710, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000017E82ADFF70, 8 bytes long.
Data: <àH®‚~ > E0 48 AE 82 7E 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000017E82AE1E00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000017E82AD66E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x0000017E82AE5C10, 16 bytes long.
Data: <Xn®‚~ > 58 6E AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000017E82AE6700, 16 bytes long.
Data: <0n®‚~ > 30 6E AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000017E82AE0750, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x0000017E82AE5CB0, 16 bytes long.
Data: < n®‚~ > 08 6E AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000017E82AE69D0, 16 bytes long.
Data: <àm®‚~ > E0 6D AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000017E82AE64D0, 16 bytes long.
Data: <¸m®‚~ > B8 6D AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000017E82AE65C0, 16 bytes long.
Data: < m®‚~ > 90 6D AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000017E82AE5200, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x0000017E82AE62F0, 16 bytes long.
Data: <¸“­‚~ > B8 93 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000017E82AE0B10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x0000017E82AE6480, 16 bytes long.
Data: < “­‚~ > 90 93 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000017E82AE6070, 16 bytes long.
Data: <h“­‚~ > 68 93 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000017E82AE66B0, 16 bytes long.
Data: <@“­‚~ > 40 93 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000017E82AE5B70, 16 bytes long.
Data: < “­‚~ > 18 93 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000017E82AE6430, 16 bytes long.
Data: <ð’­‚~ > F0 92 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000017E82AE63E0, 16 bytes long.
Data: <È’­‚~ > C8 92 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000017E82AE0450, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x0000017E82AE6840, 16 bytes long.
Data: < ’­‚~ > A0 92 AD 82 7E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000017E82AD92A0, 320 bytes long.
Data: <@h®‚~ P ®‚~ > 40 68 AE 82 7E 01 00 00 50 04 AE 82 7E 01 00 00
{277} normal block at 0x0000017E82AE6250, 16 bytes long.
Data: <pm®‚~ > 70 6D AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000017E82AE5C60, 16 bytes long.
Data: <Hm®‚~ > 48 6D AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000017E82AE0E10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x0000017E82AE62A0, 16 bytes long.
Data: < m®‚~ > 20 6D AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000017E82AE0990, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x0000017E82AE61B0, 16 bytes long.
Data: <hl®‚~ > 68 6C AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000017E82AE6160, 16 bytes long.
Data: <@l®‚~ > 40 6C AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000017E82AE6660, 16 bytes long.
Data: < l®‚~ > 18 6C AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000017E82AE6390, 16 bytes long.
Data: <ðk®‚~ > F0 6B AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000017E82AE67F0, 16 bytes long.
Data: <Èk®‚~ > C8 6B AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000017E82AE5FD0, 16 bytes long.
Data: < k®‚~ > A0 6B AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000017E82AE6AC0, 16 bytes long.
Data: <PS®‚~ > 50 53 AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000017E82AE5350, 40 bytes long.
Data: <Àj®‚~ 0g „~ > C0 6A AE 82 7E 01 00 00 30 67 81 84 7E 01 00 00
{263} normal block at 0x0000017E82AE6340, 16 bytes long.
Data: < k®‚~ > 80 6B AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000017E82AE5F80, 16 bytes long.
Data: <Xk®‚~ > 58 6B AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000017E82AE0CF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x0000017E82AE6200, 16 bytes long.
Data: <0k®‚~ > 30 6B AE 82 7E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000017E82AE6B30, 992 bytes long.
Data: < b®‚~ ð ®‚~ > 00 62 AE 82 7E 01 00 00 F0 0C AE 82 7E 01 00 00
{95} normal block at 0x0000017E82AE0A50, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x0000017E82ADF250, 16 bytes long.
Data: <`߬‚~ > 60 DF AC 82 7E 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000017E82ACDF60, 40 bytes long.
Data: <Pò­‚~ P ®‚~ > 50 F2 AD 82 7E 01 00 00 50 0A AE 82 7E 01 00 00
{72} normal block at 0x0000017E82ADFE80, 16 bytes long.
Data: < êcX÷ > 80 EA 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000017E82ADFA20, 16 bytes long.
Data: <@écX÷ > 40 E9 63 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000017E82ADF700, 16 bytes long.
Data: <øW`X÷ > F8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000017E82ADF0C0, 16 bytes long.
Data: <ØW`X÷ > D8 57 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000017E82ADF520, 16 bytes long.
Data: <P `X÷ > 50 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000017E82ADF7F0, 16 bytes long.
Data: <0 `X÷ > 30 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000017E82ADF390, 16 bytes long.
Data: <à `X÷ > E0 02 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000017E82ADFC50, 16 bytes long.
Data: < `X÷ > 10 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000017E82ADFD90, 16 bytes long.
Data: <p `X÷ > 70 04 60 58 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000017E82ADF6B0, 16 bytes long.
Data: < À^X÷ > 18 C0 5E 58 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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