Task 38697448

Name test_626-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND5644_1
Workunit 31637812
Created 1 Nov 2026, 14:50:43 UTC
Sent 1 Nov 2026, 14:50:46 UTC
Report deadline 6 Nov 2026, 14:50:46 UTC
Received 1 Nov 2026, 15:40:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627499
Run time 48 min 26 sec
CPU time 45 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.02 MB
Peak swap size 5.22 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:52:54 (2628): wrapper (7.9.26016): starting
15:52:54 (2628): 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
15:52:56 (2628): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:52:56 (2628): 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\12\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\12\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
16:39:52 (2628): C:/Windows/system32/cmd.exe exited; CPU time 2725.921875
16:39:52 (2628): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 44469529 bytes.
Dumping objects ->
{3835222} normal block at 0x0000023C42AE4480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000023C42AE4410, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000023C42AE43A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835189} normal block at 0x0000023C42AE41E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835178} normal block at 0x0000023C42AE4170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835147} normal block at 0x0000023C4479A430, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835136} normal block at 0x0000023C447AE500, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835133} normal block at 0x0000023C42ADE810, 8 bytes long.
 Data: <  &#166;B<   > 00 00 A6 42 3C 02 00 00 
{3834535} normal block at 0x0000023C447AE870, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000023C42ADE4F0, 8 bytes long.
 Data: <p&#233;&#187;B<   > 70 E9 BB 42 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000023C42AE0010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023C42ACE870, 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 0x0000023C42AE5B90, 16 bytes long.
 Data: <&#200;_&#174;B<           > C8 5F AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023C42AE4FB0, 16 bytes long.
 Data: <&#160;_&#174;B<           > A0 5F AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023C42ADEFE0, 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 0x0000023C42AE55A0, 16 bytes long.
 Data: <x_&#174;B<           > 78 5F AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023C42AE5A50, 16 bytes long.
 Data: <P_&#174;B<           > 50 5F AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023C42AE4F10, 16 bytes long.
 Data: <(_&#174;B<           > 28 5F AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023C42AE5B40, 16 bytes long.
 Data: < _&#174;B<           > 00 5F AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023C42AE3E60, 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 0x0000023C42AE4E70, 16 bytes long.
 Data: <&#184;&#248;&#172;B<           > B8 F8 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023C42ADF8E0, 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 0x0000023C42AE5BE0, 16 bytes long.
 Data: < &#248;&#172;B<           > 90 F8 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023C42AE4E20, 16 bytes long.
 Data: <h&#248;&#172;B<           > 68 F8 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023C42AE4DD0, 16 bytes long.
 Data: <@&#248;&#172;B<           > 40 F8 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023C42AE4F60, 16 bytes long.
 Data: < &#248;&#172;B<           > 18 F8 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023C42AE5780, 16 bytes long.
 Data: <&#240;&#247;&#172;B<           > F0 F7 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023C42AE5640, 16 bytes long.
 Data: <&#200;&#247;&#172;B<           > C8 F7 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023C42ADFC40, 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 0x0000023C42AE5AF0, 16 bytes long.
 Data: <&#160;&#247;&#172;B<           > A0 F7 AC 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023C42ACF7A0, 320 bytes long.
 Data: <&#240;Z&#174;B<   @&#252;&#173;B<   > F0 5A AE 42 3C 02 00 00 40 FC AD 42 3C 02 00 00 
{274} normal block at 0x0000023C42AE4D30, 16 bytes long.
 Data: <&#224;^&#174;B<           > E0 5E AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023C42AE5AA0, 16 bytes long.
 Data: <&#184;^&#174;B<           > B8 5E AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023C42ADEF80, 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 0x0000023C42AE4EC0, 16 bytes long.
 Data: < ^&#174;B<           > 90 5E AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023C42ADF0A0, 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 0x0000023C42AE5190, 16 bytes long.
 Data: <&#216;]&#174;B<           > D8 5D AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023C42AE56E0, 16 bytes long.
 Data: <&#176;]&#174;B<           > B0 5D AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023C42AE5370, 16 bytes long.
 Data: < ]&#174;B<           > 88 5D AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023C42AE5000, 16 bytes long.
 Data: <`]&#174;B<           > 60 5D AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023C42AE4CE0, 16 bytes long.
 Data: <8]&#174;B<           > 38 5D AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023C42AE5870, 16 bytes long.
 Data: < ]&#174;B<           > 10 5D AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023C42AE5410, 16 bytes long.
 Data: <&#240;D&#174;B<           > F0 44 AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023C42AE44F0, 40 bytes long.
 Data: < T&#174;B<   0&#164;yD<   > 10 54 AE 42 3C 02 00 00 30 A4 79 44 3C 02 00 00 
{260} normal block at 0x0000023C42AE5550, 16 bytes long.
 Data: <&#240;\&#174;B<           > F0 5C AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023C42AE50F0, 16 bytes long.
 Data: <&#200;\&#174;B<           > C8 5C AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023C42ADFCA0, 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 0x0000023C42AE55F0, 16 bytes long.
 Data: <&#160;\&#174;B<           > A0 5C AE 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023C42AE5CA0, 992 bytes long.
 Data: <&#240;U&#174;B<   &#160;&#252;&#173;B<   > F0 55 AE 42 3C 02 00 00 A0 FC AD 42 3C 02 00 00 
{92} normal block at 0x0000023C42ADF700, 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 0x0000023C42ADE180, 16 bytes long.
 Data: <&#208;&#221;&#173;B<           > D0 DD AD 42 3C 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000023C42ADDDD0, 40 bytes long.
 Data: < &#225;&#173;B<    &#247;&#173;B<   > 80 E1 AD 42 3C 02 00 00 00 F7 AD 42 3C 02 00 00 
{69} normal block at 0x0000023C42ADE9F0, 16 bytes long.
 Data: < &#234;~p&#247;           > 80 EA 7E 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023C42ADE770, 16 bytes long.
 Data: <@&#233;~p&#247;           > 40 E9 7E 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023C42ADE360, 16 bytes long.
 Data: <&#248;W{p&#247;           > F8 57 7B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023C42ADE090, 16 bytes long.
 Data: <&#216;W{p&#247;           > D8 57 7B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023C42ADE2C0, 16 bytes long.
 Data: <P {p&#247;           > 50 04 7B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023C42ADED60, 16 bytes long.
 Data: <0 {p&#247;           > 30 04 7B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023C42ADEB30, 16 bytes long.
 Data: <&#224; {p&#247;           > E0 02 7B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023C42ADE9A0, 16 bytes long.
 Data: <  {p&#247;           > 10 04 7B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023C42ADEC20, 16 bytes long.
 Data: <p {p&#247;           > 70 04 7B 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023C42ADE7C0, 16 bytes long.
 Data: < &#192;yp&#247;           > 18 C0 79 70 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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