Task 38686505
| Name | test_603-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND8577_0 |
| Workunit | 31627936 |
| Created | 28 Oct 2026, 2:56:59 UTC |
| Sent | 28 Oct 2026, 2:57:04 UTC |
| Report deadline | 2 Nov 2026, 2:57:04 UTC |
| Received | 28 Oct 2026, 4:55:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 53 min 9 sec |
| CPU time | 35 min 42 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 | 742.17 MB |
| Peak swap size | 11.40 GB |
| Peak disk usage | 3.77 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
12:06:48 (30884): wrapper (7.9.26016): starting
12:06:48 (30884): 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
12:06:50 (30884): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:06:50 (30884): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
12:54:29 (30884): C:/Windows/system32/cmd.exe exited; CPU time 2142.234375
12:54:29 (30884): 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: 67995735 bytes.
Dumping objects ->
{3835351} normal block at 0x000001DE9E620EA0, 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 0x000001DE9E6208F0, 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 0x000001DE9E620650, 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 0x000001DE9E620E30, 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 0x000001DE9AA2E1E0, 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 0x000001DE9E60BE70, 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 0x000001DE9AA496E0, 8 bytes long.
Data: < > 00 00 F7 9A DE 01 00 00
{3834057} normal block at 0x000001DE9AA49050, 8 bytes long.
Data: < f > D0 99 66 9E DE 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001DE9AA1D290, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DE9AA16AB0, 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 0x000001DE9AA49460, 16 bytes long.
Data: < > 98 C7 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DE9AA49320, 16 bytes long.
Data: <p > 70 C7 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DE9AA2F130, 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 0x000001DE9AA492D0, 16 bytes long.
Data: <H > 48 C7 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DE9AA49140, 16 bytes long.
Data: < > 20 C7 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001DE9AA49FA0, 16 bytes long.
Data: < > F8 C6 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001DE9AA49C30, 16 bytes long.
Data: < > D0 C6 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DE9AA2DD80, 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 0x000001DE9AA490A0, 16 bytes long.
Data: < > A8 C1 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DE9AA2F670, 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 0x000001DE9AA49B90, 16 bytes long.
Data: < > 80 C1 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DE9AA49500, 16 bytes long.
Data: <X > 58 C1 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001DE9AA49AF0, 16 bytes long.
Data: <0 > 30 C1 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DE9AA497D0, 16 bytes long.
Data: < > 08 C1 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001DE9AA49280, 16 bytes long.
Data: < > E0 C0 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DE9AA49F00, 16 bytes long.
Data: < > B8 C0 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DE9AA2F250, 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 0x000001DE9AA49AA0, 16 bytes long.
Data: < > 90 C0 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DE9AA4C090, 320 bytes long.
Data: < P > A0 9A A4 9A DE 01 00 00 50 F2 A2 9A DE 01 00 00
{276} normal block at 0x000001DE9AA49D20, 16 bytes long.
Data: < > B0 C6 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DE9AA49230, 16 bytes long.
Data: < > 88 C6 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DE9AA2F550, 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 0x000001DE9AA49CD0, 16 bytes long.
Data: <` > 60 C6 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DE9AA2F310, 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 0x000001DE9AA49E60, 16 bytes long.
Data: < > A8 C5 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001DE9AA49F50, 16 bytes long.
Data: < > 80 C5 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DE9AA49EB0, 16 bytes long.
Data: <X > 58 C5 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DE9AA49E10, 16 bytes long.
Data: <0 > 30 C5 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001DE9AA491E0, 16 bytes long.
Data: < > 08 C5 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DE9AA49C80, 16 bytes long.
Data: < > E0 C4 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001DE9AA49BE0, 16 bytes long.
Data: < > A0 DC A2 9A DE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DE9AA2DCA0, 40 bytes long.
Data: < p ` > E0 9B A4 9A DE 01 00 00 70 BE 60 9E DE 01 00 00
{262} normal block at 0x000001DE9AA499B0, 16 bytes long.
Data: < > C0 C4 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001DE9AA49A50, 16 bytes long.
Data: < > 98 C4 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001DE9AA2F0D0, 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 0x000001DE9AA498C0, 16 bytes long.
Data: <p > 70 C4 A4 9A DE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001DE9AA4C470, 992 bytes long.
Data: < > C0 98 A4 9A DE 01 00 00 D0 F0 A2 9A DE 01 00 00
{94} normal block at 0x000001DE9AA2FC70, 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 0x000001DE9AA49910, 16 bytes long.
Data: <P > 50 E2 A2 9A DE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001DE9AA2E250, 40 bytes long.
Data: < p > 10 99 A4 9A DE 01 00 00 70 FC A2 9A DE 01 00 00
{69} normal block at 0x000001DE9AA20890, 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 0x000001DE9AA20840, 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 0x000001DE9AA207A0, 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 0x000001DE9AA20340, 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 0x000001DE9AA202F0, 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 0x000001DE9AA202A0, 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 0x000001DE9AA20750, 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 0x000001DE9AA20570, 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 0x000001DE9AA20200, 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 0x000001DE9AA20B10, 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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