Task 38665372
| Name | test_876-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND1465_0 |
| Workunit | 31608475 |
| Created | 25 Oct 2026, 1:03:55 UTC |
| Sent | 25 Oct 2026, 1:04:49 UTC |
| Report deadline | 30 Oct 2026, 1:04:49 UTC |
| Received | 25 Oct 2026, 13:58:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654728 |
| Run time | 1 hours 9 min 36 sec |
| CPU time | 1 hours 4 min 24 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 | 631.05 MB |
| Peak swap size | 3.71 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:30:57 (9956): wrapper (7.9.26016): starting
20:30:57 (9956): 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
20:30:58 (9956): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:30:58 (9956): 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\2\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\2\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835188} normal block at 0x000001DDF0A80F60, 8 bytes long.
Data: < > 00 00 F6 F0 DD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x000001DDF248E360, 1080 bytes long.
Data: < ` > B0 1F 00 00 CD CD CD CD 60 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001DDF0A825B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
07:57:53 (5832): wrapper (7.9.26016): starting
07:57:53 (5832): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\2\tmp already exists.
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
08:58:12 (5832): C:/Windows/system32/cmd.exe exited; CPU time 3421.859375
08:58:12 (5832): 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: 45841384 bytes.
Dumping objects ->
{1623} normal block at 0x00000235C2C84790, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1612} normal block at 0x00000235C2C84410, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1601} normal block at 0x00000235C2C84560, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1590} normal block at 0x00000235C2C844F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1579} normal block at 0x00000235C2C84B10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1548} normal block at 0x00000235C2C6B560, 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) : {1535} normal block at 0x00000235C2C85640, 8 bytes long.
Data: < 5 > 00 00 0F C3 35 02 00 00
{304} normal block at 0x00000235C2C862C0, 8 bytes long.
Data: < e 5 > B0 65 C8 C2 35 02 00 00
{295} normal block at 0x00000235C2C76A30, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000235C2C85AA0, 16 bytes long.
Data: < T 5 > A8 54 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000235C2C861D0, 16 bytes long.
Data: < T 5 > 80 54 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000235C2C7F010, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000235C2C85E10, 16 bytes long.
Data: <XT 5 > 58 54 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000235C2C864A0, 16 bytes long.
Data: <0T 5 > 30 54 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000235C2C86450, 16 bytes long.
Data: < T 5 > 08 54 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000235C2C85CD0, 16 bytes long.
Data: < S 5 > E0 53 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000235C2C84800, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000235C2C86310, 16 bytes long.
Data: < 5 > 98 8E C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000235C2C7E590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000235C2C855F0, 16 bytes long.
Data: <p 5 > 70 8E C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000235C2C863B0, 16 bytes long.
Data: <H 5 > 48 8E C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000235C2C860E0, 16 bytes long.
Data: < 5 > 20 8E C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000235C2C85690, 16 bytes long.
Data: < 5 > F8 8D C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000235C2C86220, 16 bytes long.
Data: < 5 > D0 8D C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000235C2C85A50, 16 bytes long.
Data: < 5 > A8 8D C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000235C2C7ECB0, 32 bytes long.
Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55
{276} normal block at 0x00000235C2C857D0, 16 bytes long.
Data: < 5 > 80 8D C7 C2 35 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000235C2C78D80, 320 bytes long.
Data: < W 5 5 > D0 57 C8 C2 35 02 00 00 B0 EC C7 C2 35 02 00 00
{274} normal block at 0x00000235C2C85AF0, 16 bytes long.
Data: < S 5 > C0 53 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000235C2C86400, 16 bytes long.
Data: < S 5 > 98 53 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000235C2C7E4D0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000235C2C85D70, 16 bytes long.
Data: <pS 5 > 70 53 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000235C2C7E6B0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000235C2C86270, 16 bytes long.
Data: < R 5 > B8 52 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000235C2C86540, 16 bytes long.
Data: < R 5 > 90 52 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000235C2C856E0, 16 bytes long.
Data: <hR 5 > 68 52 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000235C2C85FA0, 16 bytes long.
Data: <@R 5 > 40 52 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000235C2C7FF30, 16 bytes long.
Data: < R 5 > 18 52 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000235C2C7FE40, 16 bytes long.
Data: < Q 5 > F0 51 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000235C2C7FDF0, 16 bytes long.
Data: <@F 5 > 40 46 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000235C2C84640, 40 bytes long.
Data: < 5 ` 5 > F0 FD C7 C2 35 02 00 00 60 B5 C6 C2 35 02 00 00
{260} normal block at 0x00000235C2C80340, 16 bytes long.
Data: < Q 5 > D0 51 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000235C2C7FDA0, 16 bytes long.
Data: < Q 5 > A8 51 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000235C2C7EAD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000235C2C7FD50, 16 bytes long.
Data: < Q 5 > 80 51 C8 C2 35 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000235C2C85180, 992 bytes long.
Data: <P 5 5 > 50 FD C7 C2 35 02 00 00 D0 EA C7 C2 35 02 00 00
{92} normal block at 0x00000235C2C7E890, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000235C2C7FB70, 16 bytes long.
Data: < 5 > C0 EE C6 C2 35 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000235C2C6EEC0, 40 bytes long.
Data: <p 5 5 > 70 FB C7 C2 35 02 00 00 90 E8 C7 C2 35 02 00 00
{69} normal block at 0x00000235C2C7FE90, 16 bytes long.
Data: < z > 80 EA 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000235C2C7FCB0, 16 bytes long.
Data: <@ z > 40 E9 19 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000235C2C802F0, 16 bytes long.
Data: < W z > F8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000235C2C80070, 16 bytes long.
Data: < W z > D8 57 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000235C2C80020, 16 bytes long.
Data: <P z > 50 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000235C2C7FB20, 16 bytes long.
Data: <0 z > 30 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000235C2C7F800, 16 bytes long.
Data: < z > E0 02 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000235C2C80390, 16 bytes long.
Data: < z > 10 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000235C2C7FFD0, 16 bytes long.
Data: <p z > 70 04 16 7A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000235C2C7F8F0, 16 bytes long.
Data: < z > 18 C0 14 7A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra