Task 38687446
| Name | test_603-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8577_0 |
| Workunit | 31628836 |
| Created | 28 Oct 2026, 7:51:24 UTC |
| Sent | 28 Oct 2026, 7:51:29 UTC |
| Report deadline | 2 Nov 2026, 7:51:29 UTC |
| Received | 28 Oct 2026, 9:08:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 54 min 19 sec |
| CPU time | 36 min 47 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 | 739.35 MB |
| Peak swap size | 11.39 GB |
| Peak disk usage | 3.74 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
16:18:13 (20156): wrapper (7.9.26016): starting
16:18:14 (20156): 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
16:18:16 (20156): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:18:16 (20156): 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: Exiting with failure status due to previous errors
17:06:48 (20156): C:/Windows/system32/cmd.exe exited; CPU time 2207.546875
17:06:48 (20156): 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: 68851303 bytes.
Dumping objects ->
{3835351} normal block at 0x0000024D20CD31B0, 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 0x0000024D20CD2B20, 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 0x0000024D20CD3610, 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 0x0000024D20CD2C00, 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 0x0000024D20CD3140, 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 0x0000024D246137B0, 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 0x0000024D20C8FAC0, 8 bytes long.
Data: < r"M > 00 00 72 22 4D 02 00 00
{3834057} normal block at 0x0000024D20C8F890, 8 bytes long.
Data: < M > 00 EE CC 20 4D 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024D20C7C210, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024D20C76080, 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 0x0000024D20C90510, 16 bytes long.
Data: < M > E8 C4 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024D20C90060, 16 bytes long.
Data: < M > C0 C4 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024D20C8C400, 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 0x0000024D20C90420, 16 bytes long.
Data: < M > 98 C4 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024D20C90240, 16 bytes long.
Data: <p M > 70 C4 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024D20C8FCA0, 16 bytes long.
Data: <H M > 48 C4 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024D20C8FFC0, 16 bytes long.
Data: < M > 20 C4 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000024D20C8E3E0, 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 0x0000024D20C8FC50, 16 bytes long.
Data: < % M > B8 25 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000024D20C8CD60, 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 0x0000024D20C90330, 16 bytes long.
Data: < % M > 90 25 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024D20C8FC00, 16 bytes long.
Data: <h% M > 68 25 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024D20C8FD40, 16 bytes long.
Data: <@% M > 40 25 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024D20C8FA20, 16 bytes long.
Data: < % M > 18 25 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024D20C90010, 16 bytes long.
Data: < $ M > F0 24 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024D20C8F9D0, 16 bytes long.
Data: < $ M > C8 24 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000024D20C8C820, 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 0x0000024D20C901F0, 16 bytes long.
Data: < $ M > A0 24 C9 20 4D 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024D20C924A0, 320 bytes long.
Data: < M M > F0 01 C9 20 4D 02 00 00 20 C8 C8 20 4D 02 00 00
{276} normal block at 0x0000024D20C8FBB0, 16 bytes long.
Data: < M > 00 C4 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024D20C8FF20, 16 bytes long.
Data: < M > D8 C3 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000024D20C8C3A0, 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 0x0000024D20C8F750, 16 bytes long.
Data: < M > B0 C3 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024D20C8C2E0, 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 0x0000024D20C8F930, 16 bytes long.
Data: < M > F8 C2 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024D20C901A0, 16 bytes long.
Data: < M > D0 C2 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024D20C8F6B0, 16 bytes long.
Data: < M > A8 C2 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024D20C8F980, 16 bytes long.
Data: < M > 80 C2 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024D20C902E0, 16 bytes long.
Data: <X M > 58 C2 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000024D20C903D0, 16 bytes long.
Data: <0 M > 30 C2 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024D20C90150, 16 bytes long.
Data: <0 M > 30 DE C8 20 4D 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024D20C8DE30, 40 bytes long.
Data: <P M 7a$M > 50 01 C9 20 4D 02 00 00 B0 37 61 24 4D 02 00 00
{262} normal block at 0x0000024D20C8FE80, 16 bytes long.
Data: < M > 10 C2 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024D20C8F8E0, 16 bytes long.
Data: < M > E8 C1 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000024D20C8C640, 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 0x0000024D20C8F840, 16 bytes long.
Data: < M > C0 C1 CA 20 4D 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000024D20CAC1C0, 992 bytes long.
Data: <@ M @ M > 40 F8 C8 20 4D 02 00 00 40 C6 C8 20 4D 02 00 00
{94} normal block at 0x0000024D20C8C6A0, 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 0x0000024D20C900B0, 16 bytes long.
Data: < M > B0 E1 C8 20 4D 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000024D20C8E1B0, 40 bytes long.
Data: < M M > B0 00 C9 20 4D 02 00 00 A0 C6 C8 20 4D 02 00 00
{69} normal block at 0x0000024D20C7FD10, 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 0x0000024D20C7FB30, 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 0x0000024D20C7FAE0, 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 0x0000024D20C7F9F0, 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 0x0000024D20C7FC20, 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 0x0000024D20C7F950, 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 0x0000024D20C7FCC0, 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 0x0000024D20C7F860, 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 0x0000024D20C7F810, 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 0x0000024D20C80760, 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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