Task 38698762
| Name | test_62-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0522_0 |
| Workunit | 31639250 |
| Created | 3 Nov 2026, 1:43:16 UTC |
| Sent | 3 Nov 2026, 1:43:19 UTC |
| Report deadline | 8 Nov 2026, 1:43:19 UTC |
| Received | 3 Nov 2026, 9:45:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 632044 |
| Run time | 26 min 15 sec |
| CPU time | 22 min 16 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 84,053.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.11 MB |
| Peak swap size | 7.10 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:19:59 (7220): wrapper (7.9.26016): starting
01:19:59 (7220): 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
01:20:01 (7220): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:20:01 (7220): 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
01:44:32 (7220): C:/Windows/system32/cmd.exe exited; CPU time 1336.593750
01:44:32 (7220): 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: 26598367 bytes.
Dumping objects ->
{3835220} normal block at 0x00000151C4BA9610, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835209} normal block at 0x00000151C4BA93E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835198} normal block at 0x00000151C4BA9ED0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835187} normal block at 0x00000151C4BA9C30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x00000151C4BA9E60, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835145} normal block at 0x00000151C683D920, 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) : {3835132} normal block at 0x00000151C4B9FBB0, 8 bytes long.
Data: < öÄQ > 00 00 F6 C4 51 01 00 00
{3833973} normal block at 0x00000151C4B9FAC0, 8 bytes long.
Data: <°êÇÄQ > B0 EA C7 C4 51 01 00 00
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x00000151C4B9D070, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000151C4B96B20, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{302} normal block at 0x00000151C4BAA0D0, 16 bytes long.
Data: < ³ºÄQ > 18 B3 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000151C4BAAA30, 16 bytes long.
Data: <ð²ºÄQ > F0 B2 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000151C4BA6B60, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{299} normal block at 0x00000151C4BAA9E0, 16 bytes long.
Data: <ȲºÄQ > C8 B2 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000151C4BAADA0, 16 bytes long.
Data: < ²ºÄQ > A0 B2 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000151C4BAA710, 16 bytes long.
Data: <x²ºÄQ > 78 B2 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000151C4BAA6C0, 16 bytes long.
Data: <P²ºÄQ > 50 B2 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000151C4BA3ED0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{294} normal block at 0x00000151C4BAAC10, 16 bytes long.
Data: <¸X¹ÄQ > B8 58 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000151C4BA6D40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{292} normal block at 0x00000151C4BAA080, 16 bytes long.
Data: < X¹ÄQ > 90 58 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000151C4BAA440, 16 bytes long.
Data: <hX¹ÄQ > 68 58 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000151C4BAAD50, 16 bytes long.
Data: <@X¹ÄQ > 40 58 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000151C4BAAD00, 16 bytes long.
Data: < X¹ÄQ > 18 58 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000151C4BAA670, 16 bytes long.
Data: <ðW¹ÄQ > F0 57 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000151C4BAA1C0, 16 bytes long.
Data: <ÈW¹ÄQ > C8 57 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000151C4BA6260, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{284} normal block at 0x00000151C4BAA030, 16 bytes long.
Data: < W¹ÄQ > A0 57 B9 C4 51 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000151C4B957A0, 320 bytes long.
Data: <0 ºÄQ `bºÄQ > 30 A0 BA C4 51 01 00 00 60 62 BA C4 51 01 00 00
{282} normal block at 0x00000151C4BAABC0, 16 bytes long.
Data: <0²ºÄQ > 30 B2 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000151C4BAA990, 16 bytes long.
Data: < ²ºÄQ > 08 B2 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000151C4BA6320, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{279} normal block at 0x00000151C4BAA120, 16 bytes long.
Data: <౺ÄQ > E0 B1 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000151C4BA69E0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{277} normal block at 0x00000151C4BAA940, 16 bytes long.
Data: <(±ºÄQ > 28 B1 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000151C4BAA170, 16 bytes long.
Data: < ±ºÄQ > 00 B1 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000151C4BAA530, 16 bytes long.
Data: <Ø°ºÄQ > D8 B0 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000151C4BAA210, 16 bytes long.
Data: <°°ºÄQ > B0 B0 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000151C4BAA8F0, 16 bytes long.
Data: < °ºÄQ > 88 B0 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000151C4BAA4E0, 16 bytes long.
Data: <`°ºÄQ > 60 B0 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000151C4BAAB70, 16 bytes long.
Data: < =ºÄQ > 10 3D BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000151C4BA3D10, 40 bytes long.
Data: <p«ºÄQ ÙƒÆQ > 70 AB BA C4 51 01 00 00 20 D9 83 C6 51 01 00 00
{268} normal block at 0x00000151C4BAAF80, 16 bytes long.
Data: <@°ºÄQ > 40 B0 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000151C4BAA3A0, 16 bytes long.
Data: < °ºÄQ > 18 B0 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000151C4BA6080, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{265} normal block at 0x00000151C4BAA300, 16 bytes long.
Data: <ð¯ºÄQ > F0 AF BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000151C4BAAFF0, 992 bytes long.
Data: < £ºÄQ `ºÄQ > 00 A3 BA C4 51 01 00 00 80 60 BA C4 51 01 00 00
{100} normal block at 0x00000151C4BA6B00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{99} normal block at 0x00000151C4BA0290, 16 bytes long.
Data: <°8ºÄQ > B0 38 BA C4 51 01 00 00 00 00 00 00 00 00 00 00
{98} normal block at 0x00000151C4BA38B0, 40 bytes long.
Data: < ºÄQ kºÄQ > 90 02 BA C4 51 01 00 00 00 6B BA C4 51 01 00 00
{77} normal block at 0x00000151C4BA0600, 16 bytes long.
Data: < êX­ö > 80 EA 58 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000151C4B9F8E0, 16 bytes long.
Data: <@éX­ö > 40 E9 58 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000151C4BA0240, 16 bytes long.
Data: <øWU­ö > F8 57 55 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000151C4BA04C0, 16 bytes long.
Data: <ØWU­ö > D8 57 55 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000151C4BA0150, 16 bytes long.
Data: <P U­ö > 50 04 55 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000151C4BA05B0, 16 bytes long.
Data: <0 U­ö > 30 04 55 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000151C4B9FDE0, 16 bytes long.
Data: <à U­ö > E0 02 55 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000151C4B9FE80, 16 bytes long.
Data: < U­ö > 10 04 55 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000151C4B9FF20, 16 bytes long.
Data: <p U­ö > 70 04 55 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000151C4BA03D0, 16 bytes long.
Data: < ÀS­ö > 18 C0 53 AD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra