Task 38699239
| Name | test_752-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND7683_0 |
| Workunit | 31639658 |
| Created | 3 Nov 2026, 20:58:03 UTC |
| Sent | 3 Nov 2026, 20:58:04 UTC |
| Report deadline | 8 Nov 2026, 20:58:04 UTC |
| Received | 4 Nov 2026, 0:48:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652265 |
| Run time | 57 min 13 sec |
| CPU time | 48 min 56 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,255.46 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 707.96 MB |
| Peak swap size | 6.84 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
17:50:59 (23772): wrapper (7.9.26016): starting
17:50:59 (23772): 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
17:51:00 (23772): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:00 (23772): 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\0\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\0\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
18:47:50 (23772): C:/Windows/system32/cmd.exe exited; CPU time 2936.453125
18:47:50 (23772): 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: 56329547 bytes.
Dumping objects ->
{3835241} normal block at 0x000001ECA0E44AA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x000001ECA0E448E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000001ECA0E44560, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x000001ECA0E44800, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001ECA0E44A30, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x000001ECA2C07E20, 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) : {3835153} normal block at 0x000001ECA0E3EEB0, 8 bytes long.
Data: < H¡ì > 00 00 48 A1 EC 01 00 00
{3833959} normal block at 0x000001ECA0E3E6E0, 8 bytes long.
Data: <à æ ì > E0 99 E6 A0 EC 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001ECA0E40BB0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001ECA0E35990, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001ECA0E458A0, 16 bytes long.
Data: < _ä ì > 08 5F E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001ECA0E457B0, 16 bytes long.
Data: <à^ä ì > E0 5E E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ECA0E3F660, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001ECA0E453F0, 16 bytes long.
Data: <¸^ä ì > B8 5E E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ECA0E44F90, 16 bytes long.
Data: < ^ä ì > 90 5E E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ECA0E45350, 16 bytes long.
Data: <h^ä ì > 68 5E E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ECA0E456C0, 16 bytes long.
Data: <@^ä ì > 40 5E E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ECA0E445D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001ECA0E45530, 16 bytes long.
Data: <h ã ì > 68 88 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001ECA0E3F0C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001ECA0E451C0, 16 bytes long.
Data: <@ ã ì > 40 88 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ECA0E44D10, 16 bytes long.
Data: < ã ì > 18 88 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ECA0E453A0, 16 bytes long.
Data: <ð‡ã ì > F0 87 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ECA0E44EA0, 16 bytes long.
Data: <ȇã ì > C8 87 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ECA0E452B0, 16 bytes long.
Data: < ‡ã ì > A0 87 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001ECA0E45990, 16 bytes long.
Data: <x‡ã ì > 78 87 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ECA0E3FF00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001ECA0E45940, 16 bytes long.
Data: <P‡ã ì > 50 87 E3 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ECA0E38750, 320 bytes long.
Data: <@Yä ì ÿã ì > 40 59 E4 A0 EC 01 00 00 00 FF E3 A0 EC 01 00 00
{275} normal block at 0x000001ECA0E45760, 16 bytes long.
Data: < ^ä ì > 20 5E E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ECA0E44CC0, 16 bytes long.
Data: <ø]ä ì > F8 5D E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ECA0E3F540, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001ECA0E455D0, 16 bytes long.
Data: <Ð]ä ì > D0 5D E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ECA0E3F060, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001ECA0E45120, 16 bytes long.
Data: < ]ä ì > 18 5D E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ECA0E45580, 16 bytes long.
Data: <ð\ä ì > F0 5C E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ECA0E45300, 16 bytes long.
Data: <È\ä ì > C8 5C E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ECA0E45800, 16 bytes long.
Data: < \ä ì > A0 5C E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ECA0E44C70, 16 bytes long.
Data: <x\ä ì > 78 5C E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ECA0E44FE0, 16 bytes long.
Data: <P\ä ì > 50 5C E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ECA0E45210, 16 bytes long.
Data: <pHä ì > 70 48 E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ECA0E44870, 40 bytes long.
Data: < Rä ì ~À¢ì > 10 52 E4 A0 EC 01 00 00 20 7E C0 A2 EC 01 00 00
{261} normal block at 0x000001ECA0E45710, 16 bytes long.
Data: <0\ä ì > 30 5C E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ECA0E45670, 16 bytes long.
Data: < \ä ì > 08 5C E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ECA0E3F300, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001ECA0E450D0, 16 bytes long.
Data: <à[ä ì > E0 5B E4 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001ECA0E45BE0, 992 bytes long.
Data: <ÐPä ì óã ì > D0 50 E4 A0 EC 01 00 00 00 F3 E3 A0 EC 01 00 00
{93} normal block at 0x000001ECA0E3FC60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001ECA0E3E140, 16 bytes long.
Data: <àîâ ì > E0 EE E2 A0 EC 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001ECA0E2EEE0, 40 bytes long.
Data: <@áã ì `üã ì > 40 E1 E3 A0 EC 01 00 00 60 FC E3 A0 EC 01 00 00
{70} normal block at 0x000001ECA0E3E190, 16 bytes long.
Data: < ê®Üö > 80 EA AE DC F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ECA0E3E690, 16 bytes long.
Data: <@é®Üö > 40 E9 AE DC F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ECA0E3E0F0, 16 bytes long.
Data: <øW«Üö > F8 57 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ECA0E3EDC0, 16 bytes long.
Data: <ØW«Üö > D8 57 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ECA0E3E3C0, 16 bytes long.
Data: <P «Üö > 50 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ECA0E3EB40, 16 bytes long.
Data: <0 «Üö > 30 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ECA0E3E5F0, 16 bytes long.
Data: <à «Üö > E0 02 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ECA0E3EE10, 16 bytes long.
Data: < «Üö > 10 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ECA0E3E960, 16 bytes long.
Data: <p «Üö > 70 04 AB DC F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ECA0E3EE60, 16 bytes long.
Data: < À©Üö > 18 C0 A9 DC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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