Task 38686135
| Name | test_507-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND9731_0 |
| Workunit | 31627575 |
| Created | 28 Oct 2026, 0:52:20 UTC |
| Sent | 28 Oct 2026, 0:52:22 UTC |
| Report deadline | 2 Nov 2026, 0:52:22 UTC |
| Received | 28 Oct 2026, 2:33:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 54 min 49 sec |
| CPU time | 39 min 19 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,353.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.54 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:56:28 (21400): wrapper (7.9.26016): starting
08:56:28 (21400): 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
08:56:29 (21400): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:56:29 (21400): 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\16\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\16\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
09:49:30 (21400): C:/Windows/system32/cmd.exe exited; CPU time 2359.218750
09:49:30 (21400): 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: 66457297 bytes.
Dumping objects ->
{3835294} normal block at 0x0000014245807F60, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x00000142458072B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x0000014243714DB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835261} normal block at 0x0000014243714D40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x0000014243714CD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835219} normal block at 0x0000014245815C40, 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) : {3835205} normal block at 0x0000014243710060, 8 bytes long.
Data: < CB > 00 00 C5 43 42 01 00 00
{3834057} normal block at 0x0000014243710880, 8 bytes long.
Data: < 4 EB > 90 34 87 45 42 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000014243711160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000014243706290, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x00000142437159E0, 16 bytes long.
Data: <(lqCB > 28 6C 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000142437163E0, 16 bytes long.
Data: < lqCB > 00 6C 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001424370F960, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000014243715B20, 16 bytes long.
Data: < kqCB > D8 6B 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000014243716160, 16 bytes long.
Data: < kqCB > B0 6B 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000014243715AD0, 16 bytes long.
Data: < kqCB > 88 6B 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000014243716390, 16 bytes long.
Data: <`kqCB > 60 6B 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000014243714F70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000014243715940, 16 bytes long.
Data: <X pCB > 58 93 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001424370F0C0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000014243716890, 16 bytes long.
Data: <0 pCB > 30 93 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000014243715B70, 16 bytes long.
Data: < pCB > 08 93 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000014243716700, 16 bytes long.
Data: < pCB > E0 92 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000014243716480, 16 bytes long.
Data: < pCB > B8 92 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000014243716660, 16 bytes long.
Data: < pCB > 90 92 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000142437160C0, 16 bytes long.
Data: <h pCB > 68 92 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001424370F4E0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000014243716840, 16 bytes long.
Data: <@ pCB > 40 92 70 43 42 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000014243709240, 320 bytes long.
Data: <@hqCB pCB > 40 68 71 43 42 01 00 00 E0 F4 70 43 42 01 00 00
{276} normal block at 0x00000142437167F0, 16 bytes long.
Data: <@kqCB > 40 6B 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000014243716070, 16 bytes long.
Data: < kqCB > 18 6B 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001424370EF40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000014243716020, 16 bytes long.
Data: < jqCB > F0 6A 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001424370F120, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000014243716200, 16 bytes long.
Data: <8jqCB > 38 6A 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000014243715990, 16 bytes long.
Data: < jqCB > 10 6A 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000014243715F80, 16 bytes long.
Data: < iqCB > E8 69 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000142437167A0, 16 bytes long.
Data: < iqCB > C0 69 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000014243716340, 16 bytes long.
Data: < iqCB > 98 69 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000014243715A80, 16 bytes long.
Data: <piqCB > 70 69 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000014243715A30, 16 bytes long.
Data: < OqCB > E0 4F 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000014243714FE0, 40 bytes long.
Data: <0ZqCB @\ EB > 30 5A 71 43 42 01 00 00 40 5C 81 45 42 01 00 00
{262} normal block at 0x0000014243716610, 16 bytes long.
Data: <PiqCB > 50 69 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000014243715CB0, 16 bytes long.
Data: <(iqCB > 28 69 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001424370ECA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000014243716750, 16 bytes long.
Data: < iqCB > 00 69 71 43 42 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000014243716900, 992 bytes long.
Data: <PgqCB pCB > 50 67 71 43 42 01 00 00 A0 EC 70 43 42 01 00 00
{94} normal block at 0x000001424370F060, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000014243710B50, 16 bytes long.
Data: <p oCB > 70 F0 6F 43 42 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x00000142436FF070, 40 bytes long.
Data: <P qCB ` pCB > 50 0B 71 43 42 01 00 00 60 F0 70 43 42 01 00 00
{69} normal block at 0x000001424370FC50, 16 bytes long.
Data: < mt > 80 EA 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000142437106F0, 16 bytes long.
Data: <@ mt > 40 E9 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000014243710010, 16 bytes long.
Data: < Wjt > F8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000014243710920, 16 bytes long.
Data: < Wjt > D8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000142437107E0, 16 bytes long.
Data: <P jt > 50 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001424370FDE0, 16 bytes long.
Data: <0 jt > 30 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000014243710A10, 16 bytes long.
Data: < jt > E0 02 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000014243710100, 16 bytes long.
Data: < jt > 10 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000014243710290, 16 bytes long.
Data: <p jt > 70 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000014243710790, 16 bytes long.
Data: < ht > 18 C0 68 74 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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