Task 38687188
| Name | test_6-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND2363_0 |
| Workunit | 31628586 |
| Created | 28 Oct 2026, 6:26:44 UTC |
| Sent | 28 Oct 2026, 6:26:46 UTC |
| Report deadline | 2 Nov 2026, 6:26:46 UTC |
| Received | 28 Oct 2026, 6:45:42 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 649098 |
| Run time | 18 min 32 sec |
| CPU time | 16 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 91,065.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 745.98 MB |
| Peak swap size | 19.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
07:27:43 (37832): wrapper (7.9.26016): starting
07:27:43 (37832): 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
07:27:44 (37832): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:27:44 (37832): 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\9\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\9\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
07:45:30 (37832): C:/Windows/system32/cmd.exe exited; CPU time 964.453125
07:45:30 (37832): 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: 19600671 bytes.
Dumping objects ->
{3835248} normal block at 0x000001EBC99E8010, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835237} normal block at 0x000001EBC7AE4620, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835226} normal block at 0x000001EBC7AE4540, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835215} normal block at 0x000001EBC7AE4AF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835204} normal block at 0x000001EBC7AE4A80, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835173} normal block at 0x000001EBC9997940, 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) : {3835160} normal block at 0x000001EBC7ADFDB0, 8 bytes long.
Data: < «Çë > 00 00 AB C7 EB 01 00 00
{3833957} normal block at 0x000001EBC7ADFAE0, 8 bytes long.
Data: < lžÉë > A0 6C 9E C9 EB 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001EBC7AE0550, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EBC7AD59B0, 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 0x000001EBC7AE59F0, 16 bytes long.
Data: < P®Çë > 88 50 AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EBC7AE5CC0, 16 bytes long.
Data: <`P®Çë > 60 50 AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EBC7ADE270, 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 0x000001EBC7AE5F90, 16 bytes long.
Data: <8P®Çë > 38 50 AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EBC7AE5310, 16 bytes long.
Data: < P®Çë > 10 50 AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EBC7AE5EF0, 16 bytes long.
Data: <èO®Çë > E8 4F AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EBC7AE5680, 16 bytes long.
Data: <ÀO®Çë > C0 4F AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EBC7AE47E0, 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 0x000001EBC7AE5EA0, 16 bytes long.
Data: <؇­Çë > D8 87 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EBC7ADE690, 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 0x000001EBC7AE5360, 16 bytes long.
Data: <°‡­Çë > B0 87 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EBC7AE5270, 16 bytes long.
Data: < ‡­Çë > 88 87 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001EBC7AE54A0, 16 bytes long.
Data: <`‡­Çë > 60 87 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EBC7AE59A0, 16 bytes long.
Data: <8‡­Çë > 38 87 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EBC7AE5950, 16 bytes long.
Data: < ‡­Çë > 10 87 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EBC7AE5AE0, 16 bytes long.
Data: <膭Çë > E8 86 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EBC7ADE8D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000001EBC7AE5A90, 16 bytes long.
Data: <À†­Çë > C0 86 AD C7 EB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EBC7AD86C0, 320 bytes long.
Data: < Z®Çë Ðè­Çë > 90 5A AE C7 EB 01 00 00 D0 E8 AD C7 EB 01 00 00
{274} normal block at 0x000001EBC7AE5220, 16 bytes long.
Data: < O®Çë > A0 4F AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EBC7AE5BD0, 16 bytes long.
Data: <xO®Çë > 78 4F AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EBC7ADE870, 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 0x000001EBC7AE5630, 16 bytes long.
Data: <PO®Çë > 50 4F AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EBC7ADE810, 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 0x000001EBC7AE58B0, 16 bytes long.
Data: < N®Çë > 98 4E AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EBC7AE56D0, 16 bytes long.
Data: <pN®Çë > 70 4E AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EBC7AE5E50, 16 bytes long.
Data: <HN®Çë > 48 4E AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EBC7AE5E00, 16 bytes long.
Data: < N®Çë > 20 4E AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EBC7AE5900, 16 bytes long.
Data: <øM®Çë > F8 4D AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EBC7ADF130, 16 bytes long.
Data: <ÐM®Çë > D0 4D AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001EBC7ADFA90, 16 bytes long.
Data: <ðC®Çë > F0 43 AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EBC7AE43F0, 40 bytes long.
Data: < ú­Çë @y Éë > 90 FA AD C7 EB 01 00 00 40 79 99 C9 EB 01 00 00
{260} normal block at 0x000001EBC7ADF950, 16 bytes long.
Data: <°M®Çë > B0 4D AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001EBC7ADFF90, 16 bytes long.
Data: < M®Çë > 88 4D AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001EBC7ADEF30, 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 0x000001EBC7ADFF40, 16 bytes long.
Data: <`M®Çë > 60 4D AE C7 EB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001EBC7AE4D60, 992 bytes long.
Data: <@ÿ­Çë 0ï­Çë > 40 FF AD C7 EB 01 00 00 30 EF AD C7 EB 01 00 00
{92} normal block at 0x000001EBC7ADE450, 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 0x000001EBC7ADF310, 16 bytes long.
Data: <Pî¬Çë > 50 EE AC C7 EB 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001EBC7ACEE50, 40 bytes long.
Data: < ó­Çë Pä­Çë > 10 F3 AD C7 EB 01 00 00 50 E4 AD C7 EB 01 00 00
{69} normal block at 0x000001EBC7ADF9F0, 16 bytes long.
Data: < ê ö > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EBC7ADF590, 16 bytes long.
Data: <@é ö > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EBC7ADF9A0, 16 bytes long.
Data: <øWŠ ö > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EBC7ADFA40, 16 bytes long.
Data: <ØWŠ ö > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EBC7ADF1D0, 16 bytes long.
Data: <P Š ö > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001EBC7ADF4A0, 16 bytes long.
Data: <0 Š ö > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001EBC7ADFD10, 16 bytes long.
Data: <à Š ö > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001EBC7ADFEA0, 16 bytes long.
Data: < Š ö > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001EBC7ADF860, 16 bytes long.
Data: <p Š ö > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001EBC7ADFB80, 16 bytes long.
Data: < À ö > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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