Task 38687847
| Name | test_701-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4332_0 |
| Workunit | 31629221 |
| Created | 28 Oct 2026, 10:08:20 UTC |
| Sent | 28 Oct 2026, 10:08:24 UTC |
| Report deadline | 2 Nov 2026, 10:08:24 UTC |
| Received | 28 Oct 2026, 11:05:08 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 629688 |
| Run time | 48 min 47 sec |
| CPU time | 47 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,115.09 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 727.25 MB |
| Peak swap size | 9.78 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:12:11 (5212): wrapper (7.9.26016): starting
11:12:11 (5212): 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
11:12:12 (5212): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:12:12 (5212): 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\9\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\9\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.
12:02:15 (21412): wrapper (7.9.26016): starting
12:02:15 (21412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
Ein Unterverzeichnis oder eine Datei mit dem Namen "C:\ProgramData\BOINC\slots\9\tmp" existiert bereits.
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
12:04:57 (21412): C:/Windows/system32/cmd.exe exited; CPU time 136.093750
12:04:57 (21412): 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: 2395588 bytes.
Dumping objects ->
{1866} normal block at 0x0000020AB73A2DD0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1855} normal block at 0x0000020AB73A3150, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1844} normal block at 0x0000020AB73A2D60, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1833} normal block at 0x0000020AB73A2C10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1822} normal block at 0x0000020AB73A30E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1791} normal block at 0x0000020AB7393310, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1780} normal block at 0x0000020AB73944B0, 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) : {1777} normal block at 0x0000020AB73A97D0, 8 bytes long.
Data: < 3 > 00 00 33 B7 0A 02 00 00
{1031} normal block at 0x0000020AB73A8BA0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{306} normal block at 0x0000020AB73A90A0, 8 bytes long.
Data: < : > 20 87 3A B7 0A 02 00 00
{297} normal block at 0x0000020AB73962C0, 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 0x0000020AB73A9050, 16 bytes long.
Data: <h : > 68 A0 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020AB73A99B0, 16 bytes long.
Data: <@ : > 40 A0 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020AB73A46D0, 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 0x0000020AB73A9730, 16 bytes long.
Data: < : > 18 A0 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020AB73A9140, 16 bytes long.
Data: < : > F0 9F 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020AB73A9780, 16 bytes long.
Data: < : > C8 9F 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020AB73A98C0, 16 bytes long.
Data: < : > A0 9F 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020AB73A2BA0, 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 0x0000020AB73A9000, 16 bytes long.
Data: <XP9 > 58 50 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020AB73A4250, 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 0x0000020AB73A9460, 16 bytes long.
Data: <0P9 > 30 50 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020AB73A9C30, 16 bytes long.
Data: < P9 > 08 50 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020AB73A9690, 16 bytes long.
Data: < O9 > E0 4F 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020AB73A9870, 16 bytes long.
Data: < O9 > B8 4F 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020AB73A9A50, 16 bytes long.
Data: < O9 > 90 4F 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020AB73A9960, 16 bytes long.
Data: <hO9 > 68 4F 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020AB73A4C10, 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 0x0000020AB73A8D80, 16 bytes long.
Data: <@O9 > 40 4F 39 B7 0A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020AB7394F40, 320 bytes long.
Data: < : L: > 80 8D 3A B7 0A 02 00 00 10 4C 3A B7 0A 02 00 00
{276} normal block at 0x0000020AB73A9910, 16 bytes long.
Data: < : > 80 9F 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020AB73A9640, 16 bytes long.
Data: <X : > 58 9F 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020AB73A4610, 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 0x0000020AB73A9820, 16 bytes long.
Data: <0 : > 30 9F 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020AB73A45B0, 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 0x0000020AB73A95F0, 16 bytes long.
Data: <x : > 78 9E 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020AB73A9AA0, 16 bytes long.
Data: <P : > 50 9E 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020AB73A8FB0, 16 bytes long.
Data: <( : > 28 9E 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020AB73A9CD0, 16 bytes long.
Data: < : > 00 9E 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020AB73A9410, 16 bytes long.
Data: < : > D8 9D 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020AB73A90F0, 16 bytes long.
Data: < : > B0 9D 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020AB73A9320, 16 bytes long.
Data: <p0: > 70 30 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020AB73A3070, 40 bytes long.
Data: < : 39 > 20 93 3A B7 0A 02 00 00 10 33 39 B7 0A 02 00 00
{262} normal block at 0x0000020AB73A9550, 16 bytes long.
Data: < : > 90 9D 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020AB73A96E0, 16 bytes long.
Data: <h : > 68 9D 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020AB73A4550, 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 0x0000020AB73A8EC0, 16 bytes long.
Data: <@ : > 40 9D 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020AB73A9D40, 992 bytes long.
Data: < : PE: > C0 8E 3A B7 0A 02 00 00 50 45 3A B7 0A 02 00 00
{94} normal block at 0x0000020AB73A4EB0, 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 0x0000020AB73A1250, 16 bytes long.
Data: < /: > 20 2F 3A B7 0A 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000020AB73A2F20, 40 bytes long.
Data: <P : N: > 50 12 3A B7 0A 02 00 00 B0 4E 3A B7 0A 02 00 00
{71} normal block at 0x0000020AB73A1160, 16 bytes long.
Data: < > 80 EA FB AB F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020AB73A1070, 16 bytes long.
Data: <@ > 40 E9 FB AB F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020AB73A0FD0, 16 bytes long.
Data: < W > F8 57 F8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020AB73A0D50, 16 bytes long.
Data: < W > D8 57 F8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020AB73A10C0, 16 bytes long.
Data: <P > 50 04 F8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020AB73A1A70, 16 bytes long.
Data: <0 > 30 04 F8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020AB73A0F30, 16 bytes long.
Data: < > E0 02 F8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020AB73A1A20, 16 bytes long.
Data: < > 10 04 F8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020AB73A1480, 16 bytes long.
Data: <p > 70 04 F8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020AB73A1020, 16 bytes long.
Data: < > 18 C0 F6 AB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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