Task 38686895
| Name | test_603-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8577_0 |
| Workunit | 31628304 |
| Created | 28 Oct 2026, 4:55:57 UTC |
| Sent | 28 Oct 2026, 4:56:05 UTC |
| Report deadline | 2 Nov 2026, 4:56:05 UTC |
| Received | 28 Oct 2026, 5:55:22 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 55 min 53 sec |
| CPU time | 36 min 44 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 747.07 MB |
| Peak swap size | 11.40 GB |
| Peak disk usage | 3.71 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
13:03:18 (33248): wrapper (7.9.26016): starting
13:03:18 (33248): 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
13:03:19 (33248): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:03:19 (33248): 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\28\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\28\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
13:53:38 (33248): C:/Windows/system32/cmd.exe exited; CPU time 2204.593750
13:53:38 (33248): 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: 73072897 bytes.
Dumping objects ->
{3835351} normal block at 0x0000024A1EC8B970, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835340} normal block at 0x0000024A1EC8B660, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835329} normal block at 0x0000024A1EC8ADA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835318} normal block at 0x0000024A1B16ACC0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x0000024A1B16A9B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835276} normal block at 0x0000024A1EC2F9D0, 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) : {3835263} normal block at 0x0000024A1B150840, 8 bytes long.
Data: < J > 00 00 E4 1C 4A 02 00 00
{3834057} normal block at 0x0000024A1B150660, 8 bytes long.
Data: < J > 20 DF 12 1B 4A 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024A1B13D110, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024A1B136200, 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 0x0000024A1B150340, 16 bytes long.
Data: <x J > 78 C8 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024A1B1502A0, 16 bytes long.
Data: <P J > 50 C8 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024A1B14F390, 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 0x0000024A1B150570, 16 bytes long.
Data: <( J > 28 C8 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024A1B150200, 16 bytes long.
Data: < J > 00 C8 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024A1B1501B0, 16 bytes long.
Data: < J > D8 C7 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024A1B14FF80, 16 bytes long.
Data: < J > B0 C7 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024A1B16A8D0, 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 0x0000024A1B1504D0, 16 bytes long.
Data: < J > B8 BF 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024A1B14FDB0, 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 0x0000024A1B1505C0, 16 bytes long.
Data: < J > 90 BF 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024A1B150430, 16 bytes long.
Data: <h J > 68 BF 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024A1B150C00, 16 bytes long.
Data: <@ J > 40 BF 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024A1B1502F0, 16 bytes long.
Data: < J > 18 BF 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024A1B150ED0, 16 bytes long.
Data: < J > F0 BE 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024A1B150B10, 16 bytes long.
Data: < J > C8 BE 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024A1B14F5D0, 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 0x0000024A1B1507A0, 16 bytes long.
Data: < J > A0 BE 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024A1B16BEA0, 320 bytes long.
Data: < J J > A0 07 15 1B 4A 02 00 00 D0 F5 14 1B 4A 02 00 00
{276} normal block at 0x0000024A1B150250, 16 bytes long.
Data: < J > 90 C7 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024A1B1509D0, 16 bytes long.
Data: <h J > 68 C7 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024A1B14F870, 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 0x0000024A1B150D90, 16 bytes long.
Data: <@ J > 40 C7 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024A1B14FBD0, 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 0x0000024A1B150AC0, 16 bytes long.
Data: < J > 88 C6 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024A1B1503E0, 16 bytes long.
Data: <` J > 60 C6 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024A1B150160, 16 bytes long.
Data: <8 J > 38 C6 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024A1B150070, 16 bytes long.
Data: < J > 10 C6 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024A1B150110, 16 bytes long.
Data: < J > E8 C5 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024A1B150020, 16 bytes long.
Data: < J > C0 C5 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024A1B150A70, 16 bytes long.
Data: < J > 00 AB 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024A1B16AB00, 40 bytes long.
Data: <p J J > 70 0A 15 1B 4A 02 00 00 D0 F9 C2 1E 4A 02 00 00
{262} normal block at 0x0000024A1B150610, 16 bytes long.
Data: < J > A0 C5 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024A1B150930, 16 bytes long.
Data: <x J > 78 C5 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024A1B14F9F0, 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 0x0000024A1B150CF0, 16 bytes long.
Data: <P J > 50 C5 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024A1B16C550, 992 bytes long.
Data: < J J > F0 0C 15 1B 4A 02 00 00 F0 F9 14 1B 4A 02 00 00
{94} normal block at 0x0000024A1B14F4B0, 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 0x0000024A1B150C50, 16 bytes long.
Data: < J > 90 AA 16 1B 4A 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000024A1B16AA90, 40 bytes long.
Data: <P J J > 50 0C 15 1B 4A 02 00 00 B0 F4 14 1B 4A 02 00 00
{69} normal block at 0x0000024A1B140710, 16 bytes long.
Data: < O > 80 EA 4F D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024A1B140670, 16 bytes long.
Data: <@ O > 40 E9 4F D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024A1B140580, 16 bytes long.
Data: < WL > F8 57 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024A1B140530, 16 bytes long.
Data: < WL > D8 57 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024A1B1404E0, 16 bytes long.
Data: <P L > 50 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024A1B1405D0, 16 bytes long.
Data: <0 L > 30 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024A1B1403F0, 16 bytes long.
Data: < L > E0 02 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000024A1B1406C0, 16 bytes long.
Data: < L > 10 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000024A1B1403A0, 16 bytes long.
Data: <p L > 70 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000024A1B1402B0, 16 bytes long.
Data: < J > 18 C0 4A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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