Task 38683958
| Name | test_620-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND1373_0 |
| Workunit | 31625491 |
| Created | 27 Oct 2026, 14:04:46 UTC |
| Sent | 27 Oct 2026, 14:04:54 UTC |
| Report deadline | 1 Nov 2026, 14:04:54 UTC |
| Received | 27 Oct 2026, 14:29:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654520 |
| Run time | 11 min 54 sec |
| CPU time | 11 min 12 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 107,364.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 752.84 MB |
| Peak swap size | 13.25 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:17:53 (26296): wrapper (7.9.26016): starting
22:17:53 (26296): 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
22:17:54 (26296): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:17:54 (26296): 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
22:29:14 (26296): C:/Windows/system32/cmd.exe exited; CPU time 672.171875
22:29:14 (26296): 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: 10807391 bytes.
Dumping objects ->
{3835687} normal block at 0x0000018D59E5B220, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835676} normal block at 0x0000018D59E5AB90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835665} normal block at 0x0000018D59E5B0D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835654} normal block at 0x0000018D59E5AD50, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835643} normal block at 0x0000018D59E5A880, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835612} normal block at 0x0000018D5BE3A720, 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) : {3835599} normal block at 0x0000018D59E2EFB0, 8 bytes long.
Data: < Y > 00 00 DC 59 8D 01 00 00
{3834089} normal block at 0x0000018D59E2FA00, 8 bytes long.
Data: < [ > C0 C2 E4 5B 8D 01 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000018D59E33230, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000018D59E28130, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000018D59E37A80, 16 bytes long.
Data: < Y > F8 84 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000018D59E37350, 16 bytes long.
Data: < Y > D0 84 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000018D59E30BC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000018D59E37260, 16 bytes long.
Data: < Y > A8 84 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000018D59E37670, 16 bytes long.
Data: < Y > 80 84 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000018D59E38160, 16 bytes long.
Data: <X Y > 58 84 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000018D59E375D0, 16 bytes long.
Data: <0 Y > 30 84 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000018D59E35AD0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000018D59E37300, 16 bytes long.
Data: < m Y > C8 6D E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000018D59E31160, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000018D59E38070, 16 bytes long.
Data: < m Y > A0 6D E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000018D59E372B0, 16 bytes long.
Data: <xm Y > 78 6D E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000018D59E38020, 16 bytes long.
Data: <Pm Y > 50 6D E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000018D59E37210, 16 bytes long.
Data: <(m Y > 28 6D E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000018D59E37FD0, 16 bytes long.
Data: < m Y > 00 6D E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000018D59E379E0, 16 bytes long.
Data: < l Y > D8 6C E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000018D59E30B60, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000018D59E378F0, 16 bytes long.
Data: < l Y > B0 6C E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000018D59E36CB0, 320 bytes long.
Data: < x Y ` Y > F0 78 E3 59 8D 01 00 00 60 0B E3 59 8D 01 00 00
{284} normal block at 0x0000018D59E37F80, 16 bytes long.
Data: < Y > 10 84 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000018D59E37990, 16 bytes long.
Data: < Y > E8 83 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000018D59E317C0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000018D59E37EE0, 16 bytes long.
Data: < Y > C0 83 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000018D59E31100, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000018D59E37710, 16 bytes long.
Data: < Y > 08 83 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000018D59E38110, 16 bytes long.
Data: < Y > E0 82 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000018D59E378A0, 16 bytes long.
Data: < Y > B8 82 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000018D59E37B70, 16 bytes long.
Data: < Y > 90 82 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000018D59E37E40, 16 bytes long.
Data: <h Y > 68 82 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000018D59E380C0, 16 bytes long.
Data: <@ Y > 40 82 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000018D59E37D50, 16 bytes long.
Data: < U Y > 20 55 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000018D59E35520, 40 bytes long.
Data: <P} Y [ > 50 7D E3 59 8D 01 00 00 20 A7 E3 5B 8D 01 00 00
{270} normal block at 0x0000018D59E37DF0, 16 bytes long.
Data: < Y > 20 82 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000018D59E376C0, 16 bytes long.
Data: < Y > F8 81 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000018D59E31640, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000018D59E37F30, 16 bytes long.
Data: < Y > D0 81 E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000018D59E381D0, 992 bytes long.
Data: <0 Y @ Y > 30 7F E3 59 8D 01 00 00 40 16 E3 59 8D 01 00 00
{102} normal block at 0x0000018D59E31220, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000018D59E2F3C0, 16 bytes long.
Data: < [ Y > B0 5B E3 59 8D 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000018D59E35BB0, 40 bytes long.
Data: < Y Y > C0 F3 E2 59 8D 01 00 00 20 12 E3 59 8D 01 00 00
{77} normal block at 0x0000018D59E2FBE0, 16 bytes long.
Data: < A > 80 EA E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000018D59E2FAF0, 16 bytes long.
Data: <@ A > 40 E9 E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000018D59E2FE60, 16 bytes long.
Data: < W A > F8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000018D59E2FC80, 16 bytes long.
Data: < W A > D8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000018D59E2EF60, 16 bytes long.
Data: <P A > 50 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000018D59E2FE10, 16 bytes long.
Data: <0 A > 30 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000018D59E2FB40, 16 bytes long.
Data: < A > E0 02 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000018D59E2F500, 16 bytes long.
Data: < A > 10 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000018D59E2FCD0, 16 bytes long.
Data: <p A > 70 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000018D59E2F9B0, 16 bytes long.
Data: < A > 18 C0 DD 41 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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